nqpoint: 216 natom: 2 reciprocal_lattice: - [ -0.14835358, 0.14835358, 0.14835358 ] # a* - [ 0.14835358, -0.14835358, 0.14835358 ] # b* - [ 0.14835358, 0.14835358, -0.14835358 ] # c* phonon: - q-position: [ 0.0000000, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.7019355107, -0.0000000000, -0.0639266266, 0.0000000000, 0.0565670607, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071068469, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0846329373, 0.0000000000, -0.4601404856, 0.0000000000, 0.5301961020, 0.0000000000, 0.6276485663, 0.0000000000, 0.0000000000, 0.0000000000, 0.3256645055, 0.0000000000 ] - [ 0.0111225834, 0.0000000000, 0.5330891361, 0.0000000000, 0.4644267091, 0.0000000000, 0.3256645055, 0.0000000000, 0.0000000000, 0.0000000000, -0.6276485663, 0.0000000000 ] - [ 0.7019356411, 0.0000000000, -0.0639266384, 0.0000000000, 0.0565670712, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067155, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0846329531, 0.0000000000, -0.4601405710, 0.0000000000, 0.5301962005, 0.0000000000, -0.6276484497, 0.0000000000, -0.0000000000, 0.0000000000, -0.3256644450, 0.0000000000 ] - [ 0.0111225855, 0.0000000000, 0.5330892352, 0.0000000000, 0.4644267954, 0.0000000000, -0.3256644450, 0.0000000000, -0.0000000000, 0.0000000000, 0.6276484497, 0.0000000000 ] band: - # 1 frequency: -0.0001214053 eigenvector: - # atom 1 - [ 0.70193551068673, -0.00000000000000 ] - [ -0.08463293732694, 0.00000000000000 ] - [ 0.01112258342389, 0.00000000000000 ] - # atom 2 - [ 0.70193564109843, 0.00000000000000 ] - [ -0.08463295305078, 0.00000000000000 ] - [ 0.01112258549034, 0.00000000000000 ] - # 2 frequency: -0.0001194536 eigenvector: - # atom 1 - [ -0.06392662656530, 0.00000000000000 ] - [ -0.46014048555365, 0.00000000000000 ] - [ 0.53308913614524, 0.00000000000000 ] - # atom 2 - [ -0.06392663844215, 0.00000000000000 ] - [ -0.46014057104256, 0.00000000000000 ] - [ 0.53308923518719, 0.00000000000000 ] - # 3 frequency: -0.0001183717 eigenvector: - # atom 1 - [ 0.05656706072077, 0.00000000000000 ] - [ 0.53019610200332, 0.00000000000000 ] - [ 0.46442670914531, 0.00000000000000 ] - # atom 2 - [ 0.05656707123029, 0.00000000000000 ] - [ 0.53019620050778, 0.00000000000000 ] - [ 0.46442679543056, 0.00000000000000 ] - # 4 frequency: 1288.8959664067 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.62764856627335, 0.00000000000000 ] - [ 0.32566450551044, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.62764844966335, 0.00000000000000 ] - [ -0.32566444500566, 0.00000000000000 ] - # 5 frequency: 1288.8959664067 eigenvector: - # atom 1 - [ 0.70710684687277, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710671550032, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1288.8959664067 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.32566450551044, 0.00000000000000 ] - [ -0.62764856627335, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.32566444500566, 0.00000000000000 ] - [ 0.62764844966335, 0.00000000000000 ] - q-position: [ 0.0000000, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.6677377765, 0.0000000000, -0.0058848109, 0.0000000000, -0.2325758539, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071068541, 0.0000000000 ] - [ -0.2298253946, 0.0154751452, -0.0824814811, 0.0028730005, 0.6619280690, -0.0445026684, 0.5889222549, -0.0024216512, 0.3911064748, 0.0141612729, 0.0000000000, -0.0000000000 ] - [ 0.0326586849, 0.0006140139, -0.7015171492, -0.0320547417, -0.0760145199, -0.0009517935, 0.3911651775, 0.0124346376, -0.5873979003, -0.0424145431, 0.0000000000, 0.0000000000 ] - [ -0.6676143847, 0.0128434897, -0.0058837235, 0.0001131904, -0.2325328761, 0.0044734411, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7069758958, 0.0136007220 ] - [ -0.2294852709, 0.0198928233, -0.0824109790, 0.0044589457, 0.6609497717, -0.0572261886, -0.5887666060, 0.0137487239, -0.3913064233, -0.0066359817, -0.0000000000, 0.0000000000 ] - [ 0.0326644601, -0.0000142675, -0.7020040669, -0.0185556049, -0.0760187802, 0.0005104708, -0.3913319044, -0.0049085371, 0.5881049276, 0.0311084865, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.66773777645926, 0.00000000000000 ] - [ -0.22982539459228, 0.01547514517607 ] - [ 0.03265868493080, 0.00061401391297 ] - # atom 2 - [ -0.66761438471910, 0.01284348973694 ] - [ -0.22948527092155, 0.01989282333602 ] - [ 0.03266446005624, -0.00001426752290 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.00588481093194, 0.00000000000000 ] - [ -0.08248148109920, 0.00287300050464 ] - [ -0.70151714920024, -0.03205474169318 ] - # atom 2 - [ -0.00588372347353, 0.00011319040419 ] - [ -0.08241097904339, 0.00445894574960 ] - [ -0.70200406687305, -0.01855560488503 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.23257585393266, 0.00000000000000 ] - [ 0.66192806896089, -0.04450266835535 ] - [ -0.07601451986643, -0.00095179351974 ] - # atom 2 - [ -0.23253287607467, 0.00447344106976 ] - [ 0.66094977172564, -0.05722618857260 ] - [ -0.07601878020113, 0.00051047083558 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.58892225493729, -0.00242165117086 ] - [ 0.39116517750031, 0.01243463764521 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58876660602603, 0.01374872387449 ] - [ -0.39133190443236, -0.00490853712710 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.39110647482752, 0.01416127290205 ] - [ -0.58739790031233, -0.04241454306572 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.39130642329266, -0.00663598171234 ] - [ 0.58810492758286, 0.03110848650052 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70710685405887, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70697589584337, 0.01360072201911 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.0000000, 0.3333333 ] dynamical_matrix: - [ -0.5401975940, 0.0000000000, 0.3932778715, 0.0000000000, -0.2313415976, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4540190591, 0.0359558438, 0.4441953681, 0.0264961386, -0.3050372056, -0.0389161112, -0.6284551877, 0.0522608502, -0.0000000000, -0.0000000000, 0.3195725716, 0.0136525643 ] - [ -0.0142738794, 0.0235912410, -0.3067059116, 0.2307645745, -0.4880658468, 0.3372098656, 0.3198640665, 0.0000000000, 0.0000000000, 0.0000000000, 0.6256518528, 0.0790371967 ] - [ -0.5304636558, 0.1020877781, 0.3861913117, -0.0743225526, -0.2271730029, 0.0437194648, -0.0000000000, 0.0000000000, -0.6943649773, 0.1336306022, 0.0000000000, 0.0000000000 ] - [ 0.4526330083, -0.0504936137, 0.4411986158, -0.0579263588, -0.3068951295, 0.0194317563, 0.6072542003, -0.1700859552, -0.0000000000, 0.0000000000, -0.3163940388, 0.0469869741 ] - [ -0.0095583485, 0.0258636557, -0.2575688932, 0.2845683627, -0.4155445894, 0.4233694086, -0.3141001897, 0.0604486097, -0.0000000000, 0.0000000000, -0.6293143725, 0.0406240886 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.54019759402088, 0.00000000000000 ] - [ 0.45401905905111, 0.03595584381915 ] - [ -0.01427387941853, 0.02359124097925 ] - # atom 2 - [ -0.53046365575000, 0.10208777814716 ] - [ 0.45263300828748, -0.05049361366843 ] - [ -0.00955834853753, 0.02586365567628 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.39327787145990, 0.00000000000000 ] - [ 0.44419536805364, 0.02649613860762 ] - [ -0.30670591157099, 0.23076457445392 ] - # atom 2 - [ 0.38619131171498, -0.07432255259218 ] - [ 0.44119861577109, -0.05792635877158 ] - [ -0.25756889321804, 0.28456836265242 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.23134159762344, 0.00000000000000 ] - [ -0.30503720560197, -0.03891611115800 ] - [ -0.48806584681480, 0.33720986555825 ] - # atom 2 - [ -0.22717300291721, 0.04371946479546 ] - [ -0.30689512945003, 0.01943175626078 ] - [ -0.41554458940311, 0.42336940864085 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.62845518770077, 0.05226085017899 ] - [ 0.31986406649328, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.60725420033803, -0.17008595524541 ] - [ -0.31410018965976, 0.06044860968397 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.69436497731074, 0.13363060218825 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.31957257160508, 0.01365256427701 ] - [ 0.62565185283183, 0.07903719667054 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.31639403884870, 0.04698697413148 ] - [ -0.62931437249059, 0.04062408862599 ] - q-position: [ 0.0000000, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.1506821933, -0.0000000000, 0.3294312569, 0.0000000000, -0.6072641417, 0.0000000000, 0.1341883160, 0.0000000000, 0.6942576479, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5251798743, -0.0104369082, -0.3489815112, 0.0106938870, -0.3196313760, 0.0032115257, 0.6776310025, 0.0365567581, -0.1309746654, -0.0070658059, -0.0531233569, -0.1394762851 ] - [ 0.4235898077, 0.1481335082, -0.4965226591, -0.1517816057, -0.1642491883, -0.0455823443, -0.1170925311, 0.0881070299, 0.0226320151, -0.0170296057, -0.6039220887, -0.3361585511 ] - [ 0.1065484403, -0.1065484403, 0.2329431622, -0.2329431622, -0.4294007521, 0.4294007521, -0.0948854330, 0.0948854330, -0.4909141083, 0.4909141083, -0.0000000000, 0.0000000000 ] - [ -0.3787383997, 0.3639783771, -0.2392055619, 0.2543290076, -0.2237427050, 0.2282844899, -0.5050068209, 0.4533077770, 0.0976093171, -0.0876167622, 0.1361884623, 0.0610607184 ] - [ 0.4042695838, -0.1947770897, -0.4584205122, 0.2437688272, -0.1483733547, 0.0839101613, 0.0204958368, -0.1450979472, -0.0039615002, 0.0280449906, 0.6647371482, -0.1893373428 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.15068219333603, -0.00000000000000 ] - [ -0.52517987427143, -0.01043690821141 ] - [ 0.42358980768829, 0.14813350820315 ] - # atom 2 - [ 0.10654844030296, -0.10654844030296 ] - [ -0.37873839974154, 0.36397837711523 ] - [ 0.40426958384671, -0.19477708966125 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.32943125686991, 0.00000000000000 ] - [ -0.34898151122090, 0.01069388702636 ] - [ -0.49652265909924, -0.15178160565651 ] - # atom 2 - [ 0.23294316222392, -0.23294316222392 ] - [ -0.23920556194281, 0.25432900762951 ] - [ -0.45842051221962, 0.24376882722172 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.60726414172076, 0.00000000000000 ] - [ -0.31963137600553, 0.00321152574142 ] - [ -0.16424918828825, -0.04558234431578 ] - # atom 2 - [ -0.42940075213776, 0.42940075213776 ] - [ -0.22374270496150, 0.22828448990855 ] - [ -0.14837335474325, 0.08391016125405 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.13418831601422, 0.00000000000000 ] - [ 0.67763100246591, 0.03655675810160 ] - [ -0.11709253111411, 0.08810702994318 ] - # atom 2 - [ -0.09488543295237, 0.09488543295237 ] - [ -0.50500682088856, 0.45330777699509 ] - [ 0.02049583681827, -0.14509794720499 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.69425764787575, 0.00000000000000 ] - [ -0.13097466535392, -0.00706580593473 ] - [ 0.02263201509716, -0.01702960567055 ] - # atom 2 - [ -0.49091410829094, 0.49091410829094 ] - [ 0.09760931705697, -0.08761676218798 ] - [ -0.00396150022454, 0.02804499057681 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05312335693841, -0.13947628505364 ] - [ -0.60392208865987, -0.33615855109252 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.13618846230212, 0.06106071835681 ] - [ 0.66473714822976, -0.18933734281488 ] - q-position: [ 0.0000000, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.5797501983, 0.0000000000, -0.3931504447, 0.0000000000, 0.0965520322, 0.0000000000, 0.7024192805, 0.0000000000, -0.0796347113, 0.0000000000, 0.0162974719, 0.0000000000 ] - [ -0.3837784918, 0.0333929646, -0.4819049245, 0.0454193562, 0.3421421653, -0.0155660918, -0.0150041762, 0.0298570204, 0.0020988075, 0.2582572472, 0.6569338262, -0.0249060387 ] - [ -0.1131518682, -0.0518189246, -0.2984635367, -0.1485154216, -0.5358898510, -0.2935916684, -0.0419034614, 0.0611132374, -0.4121133721, 0.5070698285, -0.2076843721, -0.1562669886 ] - [ 0.1095625199, -0.5693035531, -0.0742984712, 0.3860661811, 0.0182466241, -0.0948122401, -0.1327447293, 0.6897618468, 0.0150495416, -0.0781997121, -0.0030799318, 0.0160037952 ] - [ -0.0397360886, 0.3831737824, -0.0464705611, 0.4818048285, 0.0493732068, -0.3389187467, -0.0264834818, -0.0203762493, -0.2540001483, -0.0467450310, -0.0996915512, 0.6498028275 ] - [ -0.0722688872, 0.1013201010, -0.2022436123, 0.2650186728, -0.3895750671, 0.4707499092, -0.0520929833, -0.0526976837, -0.4200504621, -0.5005143474, 0.1926997395, -0.1744102708 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.57975019833645, 0.00000000000000 ] - [ -0.38377849179572, 0.03339296463229 ] - [ -0.11315186824084, -0.05181892460747 ] - # atom 2 - [ 0.10956251986982, -0.56930355306146 ] - [ -0.03973608855445, 0.38317378235719 ] - [ -0.07226888723371, 0.10132010103087 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.39315044469942, 0.00000000000000 ] - [ -0.48190492451886, 0.04541935615937 ] - [ -0.29846353673080, -0.14851542156381 ] - # atom 2 - [ -0.07429847119122, 0.38606618108508 ] - [ -0.04647056112438, 0.48180482849268 ] - [ -0.20224361231894, 0.26501867275759 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.09655203218186, 0.00000000000000 ] - [ 0.34214216533712, -0.01556609180183 ] - [ -0.53588985097747, -0.29359166838024 ] - # atom 2 - [ 0.01824662410595, -0.09481224005470 ] - [ 0.04937320677099, -0.33891874670281 ] - [ -0.38957506707534, 0.47074990917406 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.70241928049907, 0.00000000000000 ] - [ -0.01500417617952, 0.02985702038531 ] - [ -0.04190346135180, 0.06111323738642 ] - # atom 2 - [ -0.13274472930606, 0.68976184678770 ] - [ -0.02648348177733, -0.02037624928217 ] - [ -0.05209298330009, -0.05269768366322 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.07963471125116, 0.00000000000000 ] - [ 0.00209880754097, 0.25825724722314 ] - [ -0.41211337209767, 0.50706982853342 ] - # atom 2 - [ 0.01504954160838, -0.07819971208931 ] - [ -0.25400014832034, -0.04674503095234 ] - [ -0.42005046209351, -0.50051434735980 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.01629747189504, 0.00000000000000 ] - [ 0.65693382617563, -0.02490603870193 ] - [ -0.20768437205409, -0.15626698857984 ] - # atom 2 - [ -0.00307993182297, 0.01600379520378 ] - [ -0.09969155121527, 0.64980282745298 ] - [ 0.19269973951745, -0.17441027078788 ] - q-position: [ 0.0000000, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.5909518208, 0.0000000000, 0.3064336832, 0.0000000000, -0.2384832075, 0.0000000000, 0.0854499035, 0.0000000000, -0.0215174945, 0.0000000000, 0.7015949077, 0.0000000000 ] - [ -0.2690960556, -0.0001250174, 0.0101823412, 0.0070508759, -0.6537256576, 0.0087500776, 0.6653102346, -0.0589506062, 0.0583849916, -0.2102353358, -0.0792400230, 0.0007320263 ] - [ 0.0408785502, 0.2769333564, -0.0997362075, -0.6292833930, -0.0268584099, -0.1223539260, -0.1826999517, -0.1149185033, 0.5302827891, -0.4131943374, 0.0385151744, 0.0013239380 ] - [ 0.0113665632, -0.5908426183, 0.0058940470, -0.3063770571, -0.0045870651, 0.2384391381, -0.0016435711, 0.0854340780, 0.0004138745, -0.0215135094, -0.0134947035, 0.7014649703 ] - [ -0.0053008771, 0.2690439245, 0.0072454235, -0.0100448407, -0.0038255153, 0.6537731571, 0.0461428960, 0.6663208923, 0.2090734038, 0.0624179130, 0.0007922375, -0.0792394276 ] - [ 0.2776684532, -0.0355443683, -0.6310854666, 0.0876139318, -0.1228479197, 0.0245000507, 0.1184113301, -0.1804557355, 0.4029181819, 0.5381320927, -0.0020645061, 0.0384825763 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.59095182075631, 0.00000000000000 ] - [ -0.26909605558036, -0.00012501744513 ] - [ 0.04087855020195, 0.27693335635652 ] - # atom 2 - [ 0.01136656321162, -0.59084261834769 ] - [ -0.00530087707719, 0.26904392450126 ] - [ 0.27766845322918, -0.03554436825030 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.30643368320899, 0.00000000000000 ] - [ 0.01018234121594, 0.00705087588067 ] - [ -0.09973620748971, -0.62928339301955 ] - # atom 2 - [ 0.00589404704076, -0.30637705711002 ] - [ 0.00724542347052, -0.01004484072989 ] - [ -0.63108546656817, 0.08761393178593 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.23848320754876, 0.00000000000000 ] - [ -0.65372565759872, 0.00875007762847 ] - [ -0.02685840988337, -0.12235392603992 ] - # atom 2 - [ -0.00458706506741, 0.23843913806667 ] - [ -0.00382551530260, 0.65377315706162 ] - [ -0.12284791972946, 0.02450005072680 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.08544990352285, 0.00000000000000 ] - [ 0.66531023463942, -0.05895060617044 ] - [ -0.18269995171972, -0.11491850330889 ] - # atom 2 - [ -0.00164357109212, 0.08543407795587 ] - [ 0.04614289603158, 0.66632089231046 ] - [ 0.11841133005770, -0.18045573549003 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.02151749451727, 0.00000000000000 ] - [ 0.05838499162815, -0.21023533579585 ] - [ 0.53028278906542, -0.41319433738026 ] - # atom 2 - [ 0.00041387445164, -0.02151350941563 ] - [ 0.20907340378951, 0.06241791303185 ] - [ 0.40291818186435, 0.53813209274980 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70159490767441, 0.00000000000000 ] - [ -0.07924002300662, 0.00073202630027 ] - [ 0.03851517443872, 0.00132393796111 ] - # atom 2 - [ -0.01349470345894, 0.70146497028717 ] - [ 0.00079223751413, -0.07923942755802 ] - [ -0.00206450609094, 0.03848257626694 ] - q-position: [ 0.0000000, 0.1666667, 0.0000000 ] dynamical_matrix: - [ -0.6677377765, 0.0000000000, -0.0058848109, 0.0000000000, -0.2325758539, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071068541, 0.0000000000 ] - [ -0.2298253946, 0.0154751452, -0.0824814811, 0.0028730005, 0.6619280690, -0.0445026684, 0.5889222549, -0.0024216512, 0.3911064748, 0.0141612729, 0.0000000000, -0.0000000000 ] - [ 0.0326586849, 0.0006140139, -0.7015171492, -0.0320547417, -0.0760145199, -0.0009517935, 0.3911651775, 0.0124346376, -0.5873979003, -0.0424145431, 0.0000000000, 0.0000000000 ] - [ -0.6676143847, 0.0128434897, -0.0058837235, 0.0001131904, -0.2325328761, 0.0044734411, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7069758958, 0.0136007220 ] - [ -0.2294852709, 0.0198928233, -0.0824109790, 0.0044589457, 0.6609497717, -0.0572261886, -0.5887666060, 0.0137487239, -0.3913064233, -0.0066359817, -0.0000000000, 0.0000000000 ] - [ 0.0326644601, -0.0000142675, -0.7020040669, -0.0185556049, -0.0760187802, 0.0005104708, -0.3913319044, -0.0049085371, 0.5881049276, 0.0311084865, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.66773777645926, 0.00000000000000 ] - [ -0.22982539459228, 0.01547514517607 ] - [ 0.03265868493080, 0.00061401391297 ] - # atom 2 - [ -0.66761438471910, 0.01284348973694 ] - [ -0.22948527092155, 0.01989282333602 ] - [ 0.03266446005624, -0.00001426752290 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.00588481093194, 0.00000000000000 ] - [ -0.08248148109920, 0.00287300050464 ] - [ -0.70151714920024, -0.03205474169318 ] - # atom 2 - [ -0.00588372347353, 0.00011319040419 ] - [ -0.08241097904339, 0.00445894574960 ] - [ -0.70200406687305, -0.01855560488503 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.23257585393266, 0.00000000000000 ] - [ 0.66192806896089, -0.04450266835535 ] - [ -0.07601451986643, -0.00095179351974 ] - # atom 2 - [ -0.23253287607467, 0.00447344106976 ] - [ 0.66094977172564, -0.05722618857260 ] - [ -0.07601878020113, 0.00051047083558 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.58892225493729, -0.00242165117086 ] - [ 0.39116517750031, 0.01243463764521 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58876660602603, 0.01374872387449 ] - [ -0.39133190443236, -0.00490853712710 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.39110647482752, 0.01416127290205 ] - [ -0.58739790031233, -0.04241454306572 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.39130642329266, -0.00663598171234 ] - [ 0.58810492758286, 0.03110848650052 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70710685405887, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70697589584337, 0.01360072201911 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.5228066803, 0.0000000000, -0.4011106182, 0.0000000000, -0.2564826305, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068570, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.3042452712, -0.0000000000, 0.0115335905, 0.0000000000, -0.6382019147, -0.0000000000, 0.6800464973, -0.0000000000, -0.0000000000, 0.0000000000, 0.1937443387, -0.0000000000 ] - [ -0.3662074313, -0.0000000000, -0.5822174345, -0.0000000000, 0.1640575174, 0.0000000000, -0.1937443387, -0.0000000000, 0.0000000000, 0.0000000000, 0.6800464973, -0.0000000000 ] - [ 0.5228067925, -0.0000000000, -0.4011107043, 0.0000000000, -0.2564826855, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067053, 0.0000000000, 0.0000000000, -0.0000000000 ] - [ -0.3042453365, 0.0000000000, 0.0115335930, 0.0000000000, -0.6382020517, 0.0000000000, -0.6800463514, 0.0000000000, -0.0000000000, 0.0000000000, -0.1937442971, 0.0000000000 ] - [ -0.3662075098, 0.0000000000, -0.5822175594, 0.0000000000, 0.1640575526, -0.0000000000, 0.1937442971, -0.0000000000, -0.0000000000, 0.0000000000, -0.6800463514, 0.0000000000 ] band: - # 1 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.52280668030930, 0.00000000000000 ] - [ -0.30424527118730, -0.00000000000000 ] - [ -0.36620743127219, -0.00000000000000 ] - # atom 2 - [ 0.52280679246719, -0.00000000000000 ] - [ -0.30424533645714, 0.00000000000000 ] - [ -0.36620750983479, 0.00000000000000 ] - # 2 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.40111061820346, 0.00000000000000 ] - [ 0.01153359052045, 0.00000000000000 ] - [ -0.58221743445983, -0.00000000000000 ] - # atom 2 - [ -0.40111070425385, 0.00000000000000 ] - [ 0.01153359299475, 0.00000000000000 ] - [ -0.58221755936313, 0.00000000000000 ] - # 3 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.25648263045136, 0.00000000000000 ] - [ -0.63820191474542, -0.00000000000000 ] - [ 0.16405751743483, 0.00000000000000 ] - # atom 2 - [ -0.25648268547467, 0.00000000000000 ] - [ -0.63820205165909, 0.00000000000000 ] - [ 0.16405755263014, -0.00000000000000 ] - # 4 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68004649730607, -0.00000000000000 ] - [ -0.19374433867060, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.68004635141550, 0.00000000000000 ] - [ 0.19374429710657, -0.00000000000000 ] - # 5 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.70710685703446, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710670533862, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.19374433867059, -0.00000000000000 ] - [ 0.68004649730607, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.19374429710657, 0.00000000000000 ] - [ -0.68004635141550, 0.00000000000000 ] - q-position: [ 0.0000000, 0.1666667, 0.3333333 ] dynamical_matrix: - [ 0.0257352357, 0.0000000000, -0.0279357099, 0.0000000000, 0.7060857974, 0.0000000000, -0.0044058584, 0.0000000000, 0.0013856226, 0.0000000000, -0.7070917967, 0.0000000000 ] - [ 0.7026113037, -0.0214010478, 0.0688529371, 0.0247323970, -0.0228844879, 0.0017585371, -0.0722298087, 0.0256709590, 0.6977943206, -0.0848744574, 0.0018174640, -0.0003262753 ] - [ 0.0657265806, 0.0299487043, -0.4855455198, -0.5080478181, -0.0216057990, -0.0211920612, 0.7027957815, 0.0135157318, 0.0744747080, 0.0181975534, -0.0042331489, -0.0000485559 ] - [ 0.0256691686, -0.0018429634, -0.0278639937, 0.0020005447, 0.7042731438, -0.0505645367, 0.0043945453, -0.0003155142, -0.0013820647, 0.0000992278, 0.7052761642, -0.0506365504 ] - [ 0.6992749881, -0.0716618270, 0.0704473265, 0.0197381765, -0.0226998060, 0.0033928370, 0.0702059815, -0.0307775935, -0.6899244970, 0.1346272570, -0.0017894319, 0.0004555905 ] - [ 0.0677025485, 0.0251649787, -0.5206815851, -0.4719724586, -0.0230679484, -0.0195904129, -0.7019590743, 0.0368478755, -0.0755866465, -0.0128175131, 0.0042257565, -0.0002547148 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02573523574427, 0.00000000000000 ] - [ 0.70261130368272, -0.02140104776861 ] - [ 0.06572658062608, 0.02994870429611 ] - # atom 2 - [ 0.02566916860417, -0.00184296338728 ] - [ 0.69927498814343, -0.07166182699778 ] - [ 0.06770254847068, 0.02516497866288 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.02793570985630, 0.00000000000000 ] - [ 0.06885293712366, 0.02473239698191 ] - [ -0.48554551979519, -0.50804781809153 ] - # atom 2 - [ -0.02786399368959, 0.00200054473852 ] - [ 0.07044732646138, 0.01973817651939 ] - [ -0.52068158510404, -0.47197245855574 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.70608579741626, 0.00000000000000 ] - [ -0.02288448786500, 0.00175853710722 ] - [ -0.02160579899203, -0.02119206116223 ] - # atom 2 - [ 0.70427314375489, -0.05056453672489 ] - [ -0.02269980596751, 0.00339283695092 ] - [ -0.02306794839093, -0.01959041290928 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00440585843811, 0.00000000000000 ] - [ -0.07222980866764, 0.02567095903196 ] - [ 0.70279578146893, 0.01351573180304 ] - # atom 2 - [ 0.00439454531073, -0.00031551415772 ] - [ 0.07020598149115, -0.03077759346660 ] - [ -0.70195907427236, 0.03684787550501 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00138562261970, 0.00000000000000 ] - [ 0.69779432061957, -0.08487445743732 ] - [ 0.07447470797804, 0.01819755341772 ] - # atom 2 - [ -0.00138206469213, 0.00009922778044 ] - [ -0.68992449695835, 0.13462725700180 ] - [ -0.07558664653666, -0.01281751310739 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.70709179666040, 0.00000000000000 ] - [ 0.00181746403030, -0.00032627528790 ] - [ -0.00423314893231, -0.00004855587285 ] - # atom 2 - [ 0.70527616420706, -0.05063655035332 ] - [ -0.00178943188254, 0.00045559048193 ] - [ 0.00422575648242, -0.00025471481943 ] - q-position: [ 0.0000000, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0281941368, 0.0000000000, -0.7063556115, 0.0000000000, -0.0163286948, 0.0000000000, 0.2703430583, 0.0000000000, -0.6528741663, 0.0000000000, -0.0258876096, 0.0000000000 ] - [ 0.6933371170, 0.0587652408, 0.0293009336, 0.0046572622, -0.0703569596, -0.0999986875, -0.6433265095, -0.1118945200, -0.2651497342, -0.0457212719, -0.0312676399, -0.0154386386 ] - [ -0.1136833703, 0.0459484062, 0.0097024264, 0.0093361527, -0.6160056247, -0.3245310313, 0.0200858054, -0.0110464623, 0.0361790867, -0.0071968721, -0.7026656123, 0.0661442861 ] - [ 0.0244168492, -0.0140970745, -0.6117221661, 0.3531779573, -0.0141410706, 0.0081643509, -0.2341238558, 0.1351714712, 0.5654053709, -0.3264369431, 0.0224193179, -0.0129437992 ] - [ 0.6298304474, -0.2957764940, 0.0277039958, -0.0106171640, -0.1109303057, -0.0514229460, 0.6130840971, -0.2247596614, 0.2524869332, -0.0929790442, 0.0347978748, -0.0022635657 ] - [ -0.0754785160, 0.0966342136, 0.0130706297, 0.0032341335, -0.6957423340, 0.0269507064, -0.0118715815, 0.0196094113, -0.0277335603, 0.0243222070, 0.5754538807, -0.4086152629 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.02819413680430, 0.00000000000000 ] - [ 0.69333711704508, 0.05876524082728 ] - [ -0.11368337033036, 0.04594840615311 ] - # atom 2 - [ 0.02441684918661, -0.01409707445064 ] - [ 0.62983044739688, -0.29577649401229 ] - [ -0.07547851600227, 0.09663421361907 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70635561146258, 0.00000000000000 ] - [ 0.02930093357435, 0.00465726220353 ] - [ 0.00970242644418, 0.00933615266286 ] - # atom 2 - [ -0.61172216609831, 0.35317795726569 ] - [ 0.02770399581845, -0.01061716396222 ] - [ 0.01307062971853, 0.00323413354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.01632869483059, 0.00000000000000 ] - [ -0.07035695956029, -0.09999868753984 ] - [ -0.61600562466724, -0.32453103134352 ] - # atom 2 - [ -0.01414107060131, 0.00816435091829 ] - [ -0.11093030567796, -0.05142294603808 ] - [ -0.69574233402328, 0.02695070643689 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.27034305834512, 0.00000000000000 ] - [ -0.64332650949096, -0.11189452002307 ] - [ 0.02008580543744, -0.01104646232193 ] - # atom 2 - [ -0.23412385581038, 0.13517147117567 ] - [ 0.61308409710849, -0.22475966142538 ] - [ -0.01187158150972, 0.01960941129782 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65287416628804, 0.00000000000000 ] - [ -0.26514973416944, -0.04572127194989 ] - [ 0.03617908674079, -0.00719687208205 ] - # atom 2 - [ 0.56540537088697, -0.32643694308246 ] - [ 0.25248693324020, -0.09297904418900 ] - [ -0.02773356026285, 0.02432220698552 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.02588760955768, 0.00000000000000 ] - [ -0.03126763987628, -0.01543863863882 ] - [ -0.70266561233246, 0.06614428607750 ] - # atom 2 - [ 0.02241931790096, -0.01294379922515 ] - [ 0.03479787483825, -0.00226356570585 ] - [ 0.57545388070246, -0.40861526290347 ] - q-position: [ 0.0000000, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.0550289475, 0.0000000000, 0.2042194921, 0.0000000000, 0.6747340426, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.4686357505, 0.0963058378, -0.4859542972, 0.0204807929, 0.1853024510, -0.0140532201, 0.6046190881, -0.0022667697, 0.0000000000, 0.0000000000, 0.3329828095, 0.1534706958 ] - [ -0.3638544936, 0.3683575105, 0.3781482559, -0.2805834421, -0.0847781664, 0.0548813008, -0.2125393862, 0.2987604645, 0.0000000000, -0.0000000000, 0.5256534645, -0.2987604645 ] - [ 0.0142425449, -0.0531539013, 0.0528559136, -0.1972609550, 0.1746340855, -0.6517432798, 0.0000000000, 0.0000000000, -0.1830126679, 0.6830125750, -0.0000000000, 0.0000000000 ] - [ -0.0282675720, 0.4775933370, -0.1059913397, 0.4746968017, 0.0343854480, -0.1826257320, -0.1542973463, 0.5846036582, -0.0000000000, 0.0000000000, -0.2344235143, 0.2819154517 ] - [ 0.2616336574, 0.4467945575, -0.1731508870, -0.4378836678, 0.0310690733, 0.0960937820, -0.2335711208, -0.2826220754, -0.0000000000, 0.0000000000, 0.1525312641, 0.5850669378 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.05502894750203, 0.00000000000000 ] - [ -0.46863575052698, 0.09630583775597 ] - [ -0.36385449361714, 0.36835751053137 ] - # atom 2 - [ 0.01424254493762, -0.05315390133651 ] - [ -0.02826757204449, 0.47759333698506 ] - [ 0.26163365735315, 0.44679455754665 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.20421949211727, 0.00000000000000 ] - [ -0.48595429715745, 0.02048079292758 ] - [ 0.37814825594382, -0.28058344208555 ] - # atom 2 - [ 0.05285591358097, -0.19726095496546 ] - [ -0.10599133970561, 0.47469680167567 ] - [ -0.17315088696836, -0.43788366784193 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.67473404255861, 0.00000000000000 ] - [ 0.18530245101745, -0.01405322011601 ] - [ -0.08477816641551, 0.05488130077119 ] - # atom 2 - [ 0.17463408548257, -0.65174327975700 ] - [ 0.03438544795157, -0.18262573198308 ] - [ 0.03106907326269, 0.09609378201200 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.60461908808840, -0.00226676965710 ] - [ -0.21253938623679, 0.29876046452177 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15429734634173, 0.58460365818466 ] - [ -0.23357112077375, -0.28262207539541 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301266788981, 0.68301257499636 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.33298280945299, 0.15347069580857 ] - [ 0.52565346452226, -0.29876046452177 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.23442351433144, 0.28191545166736 ] - [ 0.15253126413665, 0.58506693780444 ] - q-position: [ 0.0000000, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.1707513841, 0.0000000000, 0.6801179415, 0.0000000000, 0.0910133317, 0.0000000000, 0.0829341747, 0.0000000000, 0.6973119597, 0.0000000000, 0.0829341747, 0.0000000000 ] - [ -0.6830630974, -0.0003805524, 0.1773611657, -0.0007776485, -0.0438676567, 0.0065251160, 0.6112336405, -0.1028387606, -0.0912918022, 0.0460628533, 0.1563493944, -0.2844584980 ] - [ -0.0644972082, 0.0104216714, -0.0743527882, 0.0212964029, 0.6766223332, -0.1786944862, -0.3101133022, -0.1130018244, -0.0271715712, 0.0506150252, 0.5385723377, -0.3125701735 ] - [ 0.0000000000, -0.1707514264, 0.0000000000, -0.6801181100, 0.0000000000, -0.0910133542, 0.0000000000, 0.0829341542, -0.0000000000, 0.6973117870, 0.0000000000, 0.0829341542 ] - [ -0.0003805525, 0.6830632666, -0.0007776487, -0.1773612096, 0.0065251176, 0.0438676676, 0.1028387351, 0.6112334891, -0.0460628419, -0.0912917796, 0.2844584276, 0.1563493557 ] - [ 0.0104216739, 0.0644972241, 0.0212964082, 0.0743528066, -0.1786945305, -0.6766225008, 0.1130017964, -0.3101132254, -0.0506150127, -0.0271715645, 0.3125700961, 0.5385722043 ] band: - # 1 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.17075138414574, 0.00000000000000 ] - [ -0.68306309740548, -0.00038055239376 ] - [ -0.06449720817127, 0.01042167136322 ] - # atom 2 - [ 0.00000000000000, -0.17075142644398 ] - [ -0.00038055248803, 0.68306326661270 ] - [ 0.01042167394486, 0.06449722414841 ] - # 2 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.68011794154378, 0.00000000000000 ] - [ 0.17736116570903, -0.00077764850145 ] - [ -0.07435278820577, 0.02129640294249 ] - # atom 2 - [ 0.00000000000000, -0.68011811002144 ] - [ -0.00077764869408, -0.17736120964464 ] - [ 0.02129640821800, 0.07435280662431 ] - # 3 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.09101333167967, 0.00000000000000 ] - [ -0.04386765671893, 0.00652511599194 ] - [ 0.67662233317721, -0.17869448620072 ] - # atom 2 - [ 0.00000000000000, -0.09101335422533 ] - [ 0.00652511760833, 0.04386766758576 ] - [ -0.17869453046661, -0.67662250078894 ] - # 4 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.08293417470491, 0.00000000000000 ] - [ 0.61123364053843, -0.10283876059597 ] - [ -0.31011330220262, -0.11300182438950 ] - # atom 2 - [ 0.00000000000000, 0.08293415416061 ] - [ 0.10283873512094, 0.61123348912471 ] - [ 0.11300179639688, -0.31011322538191 ] - # 5 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.69731195973622, 0.00000000000000 ] - [ -0.09129180223122, 0.04606285330698 ] - [ -0.02717157119889, 0.05061502521140 ] - # atom 2 - [ -0.00000000000000, 0.69731178699933 ] - [ -0.04606284189637, -0.09129177961657 ] - [ -0.05061501267313, -0.02717156446800 ] - # 6 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.08293417470491, 0.00000000000000 ] - [ 0.15634939441915, -0.28445849804096 ] - [ 0.53857233768743, -0.31257017349724 ] - # atom 2 - [ 0.00000000000000, 0.08293415416061 ] - [ 0.28445842757540, 0.15634935568856 ] - [ 0.31257009606791, 0.53857220427324 ] - q-position: [ 0.0000000, 0.3333333, 0.0000000 ] dynamical_matrix: - [ -0.3303287602, 0.0000000000, 0.6251641002, 0.0000000000, -0.0072537948, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6231135201, 0.0503376193, 0.3291933455, 0.0264782119, -0.0044741994, -0.0103030006, -0.6284551877, 0.0522608502, -0.0000000000, -0.0000000000, -0.3155114415, 0.0525885096 ] - [ 0.0017339967, 0.0086849379, -0.0068090901, 0.0073477359, -0.6658015241, 0.2377591265, 0.3198640665, 0.0000000000, 0.0000000000, -0.0000000000, -0.6284954874, 0.0517739479 ] - [ -0.3243764943, 0.0624262854, 0.6138991319, -0.1181449430, -0.0071230871, 0.0013708388, -0.0000000000, 0.0000000000, -0.6943649773, 0.1336306022, -0.0000000000, 0.0000000000 ] - [ 0.6213984202, -0.0683268449, 0.3282654519, -0.0362106169, -0.0063406624, -0.0092718041, 0.6072542003, -0.1700859552, -0.0000000000, 0.0000000000, 0.2998877066, -0.1112669179 ] - [ 0.0033440509, 0.0082007474, -0.0052978036, 0.0085021328, -0.6088720371, 0.3592995894, -0.3141001897, 0.0604486097, -0.0000000000, 0.0000000000, 0.6073857897, -0.1696154428 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.33032876023610, 0.00000000000000 ] - [ 0.62311352008271, 0.05033761930624 ] - [ 0.00173399672556, 0.00868493787519 ] - # atom 2 - [ -0.32437649425635, 0.06242628542567 ] - [ 0.62139842020389, -0.06832684493283 ] - [ 0.00334405090492, 0.00820074741399 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.62516410019976, 0.00000000000000 ] - [ 0.32919334553191, 0.02647821191445 ] - [ -0.00680909005300, 0.00734773586497 ] - # atom 2 - [ 0.61389913192173, -0.11814494302300 ] - [ 0.32826545194910, -0.03621061691653 ] - [ -0.00529780362715, 0.00850213283800 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.00725379481707, 0.00000000000000 ] - [ -0.00447419935197, -0.01030300058925 ] - [ -0.66580152410793, 0.23775912649627 ] - # atom 2 - [ -0.00712308710612, 0.00137083875272 ] - [ -0.00634066241894, -0.00927180413681 ] - [ -0.60887203712960, 0.35929958937359 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.62845518770077, 0.05226085017899 ] - [ 0.31986406649328, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.60725420033803, -0.17008595524541 ] - [ -0.31410018965976, 0.06044860968397 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.69436497731074, 0.13363060218825 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.31551144145471, 0.05258850962698 ] - [ -0.62849548743587, 0.05177394791001 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.29988770655006, -0.11126691789192 ] - [ 0.60738578973508, -0.16961544277515 ] - q-position: [ 0.0000000, 0.3333333, 0.1666667 ] dynamical_matrix: - [ 0.0257352357, 0.0000000000, -0.0279357099, 0.0000000000, 0.7060857974, 0.0000000000, -0.0044058584, 0.0000000000, 0.0013856226, 0.0000000000, -0.7070917967, 0.0000000000 ] - [ 0.7026113037, -0.0214010478, 0.0688529371, 0.0247323970, -0.0228844879, 0.0017585371, -0.0722298087, 0.0256709590, 0.6977943206, -0.0848744574, 0.0018174640, -0.0003262753 ] - [ 0.0657265806, 0.0299487043, -0.4855455198, -0.5080478181, -0.0216057990, -0.0211920612, 0.7027957815, 0.0135157318, 0.0744747080, 0.0181975534, -0.0042331489, -0.0000485559 ] - [ 0.0256691686, -0.0018429634, -0.0278639937, 0.0020005447, 0.7042731438, -0.0505645367, 0.0043945453, -0.0003155142, -0.0013820647, 0.0000992278, 0.7052761642, -0.0506365504 ] - [ 0.6992749881, -0.0716618270, 0.0704473265, 0.0197381765, -0.0226998060, 0.0033928370, 0.0702059815, -0.0307775935, -0.6899244970, 0.1346272570, -0.0017894319, 0.0004555905 ] - [ 0.0677025485, 0.0251649787, -0.5206815851, -0.4719724586, -0.0230679484, -0.0195904129, -0.7019590743, 0.0368478755, -0.0755866465, -0.0128175131, 0.0042257565, -0.0002547148 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02573523574427, 0.00000000000000 ] - [ 0.70261130368272, -0.02140104776861 ] - [ 0.06572658062608, 0.02994870429611 ] - # atom 2 - [ 0.02566916860417, -0.00184296338728 ] - [ 0.69927498814343, -0.07166182699778 ] - [ 0.06770254847068, 0.02516497866288 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.02793570985630, 0.00000000000000 ] - [ 0.06885293712366, 0.02473239698191 ] - [ -0.48554551979519, -0.50804781809153 ] - # atom 2 - [ -0.02786399368959, 0.00200054473852 ] - [ 0.07044732646138, 0.01973817651939 ] - [ -0.52068158510404, -0.47197245855574 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.70608579741626, 0.00000000000000 ] - [ -0.02288448786500, 0.00175853710722 ] - [ -0.02160579899203, -0.02119206116223 ] - # atom 2 - [ 0.70427314375489, -0.05056453672489 ] - [ -0.02269980596751, 0.00339283695092 ] - [ -0.02306794839093, -0.01959041290928 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00440585843811, 0.00000000000000 ] - [ -0.07222980866764, 0.02567095903196 ] - [ 0.70279578146893, 0.01351573180304 ] - # atom 2 - [ 0.00439454531073, -0.00031551415772 ] - [ 0.07020598149115, -0.03077759346660 ] - [ -0.70195907427236, 0.03684787550501 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00138562261970, 0.00000000000000 ] - [ 0.69779432061957, -0.08487445743732 ] - [ 0.07447470797804, 0.01819755341772 ] - # atom 2 - [ -0.00138206469213, 0.00009922778044 ] - [ -0.68992449695835, 0.13462725700180 ] - [ -0.07558664653666, -0.01281751310739 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.70709179666040, 0.00000000000000 ] - [ 0.00181746403030, -0.00032627528790 ] - [ -0.00423314893231, -0.00004855587285 ] - # atom 2 - [ 0.70527616420706, -0.05063655035332 ] - [ -0.00178943188254, 0.00045559048193 ] - [ 0.00422575648242, -0.00025471481943 ] - q-position: [ 0.0000000, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.1872854841, 0.0000000000, 0.0350804043, 0.0000000000, 0.6809503116, 0.0000000000, -0.0207767948, 0.0000000000, 0.0544228494, 0.0000000000, -0.7047032454, 0.0000000000 ] - [ 0.6810025056, 0.0000000000, -0.0256429955, 0.0000000000, 0.1886208853, 0.0000000000, -0.2220029761, 0.0000000000, 0.6688257800, 0.0000000000, 0.0581974260, 0.0000000000 ] - [ 0.0340521514, 0.0000000000, 0.7057702291, 0.0000000000, -0.0269934986, 0.0000000000, 0.6710314368, 0.0000000000, 0.2229583262, 0.0000000000, -0.0025654133, 0.0000000000 ] - [ -0.1872855537, 0.0000000000, 0.0350804173, 0.0000000000, 0.6809505646, 0.0000000000, 0.0207767871, 0.0000000000, -0.0544228292, 0.0000000000, 0.7047029835, 0.0000000000 ] - [ 0.6810027586, 0.0000000000, -0.0256430051, 0.0000000000, 0.1886209553, 0.0000000000, 0.2220028936, 0.0000000000, -0.6688255315, 0.0000000000, -0.0581974044, 0.0000000000 ] - [ 0.0340521641, 0.0000000000, 0.7057704913, 0.0000000000, -0.0269935087, 0.0000000000, -0.6710311875, 0.0000000000, -0.2229582434, 0.0000000000, 0.0025654123, 0.0000000000 ] band: - # 1 frequency: 644.4479832027 eigenvector: - # atom 1 - [ -0.18728548410975, 0.00000000000000 ] - [ 0.68100250560192, 0.00000000000000 ] - [ 0.03405215142971, 0.00000000000000 ] - # atom 2 - [ -0.18728555370082, 0.00000000000000 ] - [ 0.68100275864710, 0.00000000000000 ] - [ 0.03405216408272, 0.00000000000000 ] - # 2 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.03508040429902, 0.00000000000000 ] - [ -0.02564299553809, 0.00000000000000 ] - [ 0.70577022905855, 0.00000000000000 ] - # atom 2 - [ 0.03508041733411, 0.00000000000000 ] - [ -0.02564300506645, 0.00000000000000 ] - [ 0.70577049130686, 0.00000000000000 ] - # 3 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.68095031161407, 0.00000000000000 ] - [ 0.18862088525677, 0.00000000000000 ] - [ -0.02699349864240, 0.00000000000000 ] - # atom 2 - [ 0.68095056463986, 0.00000000000000 ] - [ 0.18862095534404, 0.00000000000000 ] - [ -0.02699350867257, 0.00000000000000 ] - # 4 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.02077679482572, 0.00000000000000 ] - [ -0.22200297606935, 0.00000000000000 ] - [ 0.67103143682082, 0.00000000000000 ] - # atom 2 - [ 0.02077678710554, 0.00000000000000 ] - [ 0.22200289357807, 0.00000000000000 ] - [ -0.67103118748076, 0.00000000000000 ] - # 5 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.05442284940885, 0.00000000000000 ] - [ 0.66882578001254, 0.00000000000000 ] - [ 0.22295832624401, 0.00000000000000 ] - # atom 2 - [ -0.05442282918656, 0.00000000000000 ] - [ -0.66882553149205, 0.00000000000000 ] - [ -0.22295824339775, 0.00000000000000 ] - # 6 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.70470324537900, 0.00000000000000 ] - [ 0.05819742602266, 0.00000000000000 ] - [ -0.00256541328944, 0.00000000000000 ] - # atom 2 - [ 0.70470298352725, 0.00000000000000 ] - [ -0.05819740439782, 0.00000000000000 ] - [ 0.00256541233619, 0.00000000000000 ] - q-position: [ 0.0000000, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.1072503144, 0.0000000000, -0.3924591309, 0.0000000000, 0.5783362595, 0.0000000000, -0.4269054457, 0.0000000000, 0.2033764217, 0.0000000000, -0.5257282027, 0.0000000000 ] - [ -0.2714895011, 0.0074752007, -0.5157008220, 0.0050475904, -0.4003014284, 0.0048115443, 0.5421286164, 0.0108710312, -0.0311222583, 0.0216452103, -0.4522625777, -0.0004541834 ] - [ 0.6396308885, 0.0748792168, -0.2804542145, -0.0367161620, -0.0716991243, -0.0110295237, -0.1259590183, -0.0886838301, -0.5942697623, -0.3225596722, -0.1276094123, -0.0527676122 ] - [ -0.1035959256, 0.0277584446, -0.3790866920, 0.1015759730, 0.5586303445, -0.1496845497, 0.4123586889, -0.1104911777, -0.1964463922, 0.0526376522, 0.5078140712, -0.1360683703 ] - [ -0.2603041899, 0.0774872005, -0.4968226993, 0.1383488950, -0.3854164551, 0.1082533089, -0.5264692704, 0.1298125045, 0.0244595822, -0.0289626793, 0.4369693307, -0.1166153744 ] - [ 0.6372166354, -0.0932209557, -0.2804010192, 0.0371218305, -0.0721107403, 0.0079034030, 0.1446200256, 0.0530613696, 0.6575046089, 0.1577602683, 0.1369183882, 0.0179418399 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10725031444698, 0.00000000000000 ] - [ -0.27148950114521, 0.00747520071284 ] - [ 0.63963088848544, 0.07487921681739 ] - # atom 2 - [ -0.10359592558973, 0.02775844460098 ] - [ -0.26030418985824, 0.07748720045209 ] - [ 0.63721663542538, -0.09322095567757 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.39245913090475, 0.00000000000000 ] - [ -0.51570082202463, 0.00504759037341 ] - [ -0.28045421451213, -0.03671616195923 ] - # atom 2 - [ -0.37908669202380, 0.10157597298938 ] - [ -0.49682269932754, 0.13834889503207 ] - [ -0.28040101924826, 0.03712183050378 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.57833625949193, 0.00000000000000 ] - [ -0.40030142842663, 0.00481154434370 ] - [ -0.07169912431631, -0.01102952367031 ] - # atom 2 - [ 0.55863034447125, -0.14968454966891 ] - [ -0.38541645512910, 0.10825330885361 ] - [ -0.07211074027314, 0.00790340299890 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.42690544569289, 0.00000000000000 ] - [ 0.54212861636465, 0.01087103121297 ] - [ -0.12595901833022, -0.08868383006698 ] - # atom 2 - [ 0.41235868893170, -0.11049117769144 ] - [ -0.52646927038642, 0.12981250453271 ] - [ 0.14462002559807, 0.05306136955674 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.20337642173954, 0.00000000000000 ] - [ -0.03112225830955, 0.02164521029063 ] - [ -0.59426976232223, -0.32255967224142 ] - # atom 2 - [ -0.19644639222632, 0.05263765215316 ] - [ 0.02445958223789, -0.02896267928854 ] - [ 0.65750460894001, 0.15776026827910 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.52572820268231, 0.00000000000000 ] - [ -0.45226257771671, -0.00045418337306 ] - [ -0.12760941225430, -0.05276761222986 ] - # atom 2 - [ 0.50781407119471, -0.13606837028207 ] - [ 0.43696933065151, -0.11661537438726 ] - [ 0.13691838823208, 0.01794183988504 ] - q-position: [ 0.0000000, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.0496882679, 0.0000000000, 0.2669430977, 0.0000000000, -0.6528951578, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000 ] - [ 0.0592870067, 0.0785884010, -0.6496845095, 0.0000000000, -0.2611183814, 0.0059809320, 0.6983542914, 0.0280007925, -0.0296543542, -0.1031417964, -0.0000000000, -0.0000000000 ] - [ -0.3096588838, -0.6260598967, -0.0815539647, -0.0000000000, -0.0569106404, -0.0476459834, -0.0729722317, 0.0786934832, -0.6359702788, -0.2898699107, 0.0000000000, -0.0000000000 ] - [ -0.0000000000, -0.0496883048, 0.0000000000, -0.2669432961, -0.0000000000, 0.6528956430, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.7071065184 ] - [ 0.0785884594, -0.0592870507, -0.0000000000, 0.6496849923, 0.0059809364, 0.2611185754, -0.0280007717, 0.6983537724, 0.1031417198, -0.0296543322, -0.0000000000, 0.0000000000 ] - [ -0.6260603619, 0.3096591139, -0.0000000000, 0.0815540253, -0.0476460188, 0.0569106827, -0.0786934247, -0.0729721775, 0.2898696953, -0.6359698062, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.04968826790314, 0.00000000000000 ] - [ 0.05928700666028, 0.07858840097672 ] - [ -0.30965888376866, -0.62605989668060 ] - # atom 2 - [ -0.00000000000000, -0.04968830482923 ] - [ 0.07858845938008, -0.05928705071972 ] - [ -0.62606036194018, 0.30965911389323 ] - # 2 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.26694309767546, 0.00000000000000 ] - [ -0.64968450948217, 0.00000000000000 ] - [ -0.08155396474084, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.26694329605558 ] - [ -0.00000000000000, 0.64968499229850 ] - [ -0.00000000000000, 0.08155402534808 ] - # 3 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.65289515778479, 0.00000000000000 ] - [ -0.26111838136655, 0.00598093196932 ] - [ -0.05691064041122, -0.04764598343051 ] - # atom 2 - [ -0.00000000000000, 0.65289564298713 ] - [ 0.00598093641408, 0.26111857541800 ] - [ -0.04764601883887, 0.05691068270466 ] - # 4 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69835429138503, 0.02800079252140 ] - [ -0.07297223169210, 0.07869348322165 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02800077171248, 0.69835377239989 ] - [ -0.07869342474023, -0.07297217746246 ] - # 5 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02965435423245, -0.10314179644905 ] - [ -0.63597027881491, -0.28986991072169 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.10314171979876, -0.02965433219468 ] - [ 0.28986969530356, -0.63596980619073 ] - # 6 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710651844160 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.2595025578, 0.0000000000, -0.6238017211, 0.0000000000, -0.2086376031, 0.0000000000, -0.1232051776, 0.0000000000, -0.6962553758, 0.0000000000, 0.0070086815, 0.0000000000 ] - [ -0.6494088765, -0.0341079519, -0.2142057256, -0.0302962343, -0.1672822334, 0.0481588273, -0.6570672521, -0.1806316009, 0.1166409934, 0.0333714278, 0.0367874077, 0.1398676155 ] - [ -0.0396076016, 0.0905220047, 0.0264924329, 0.2517288686, -0.1284730016, -0.6400486187, 0.1376682333, -0.0387682671, -0.0193267319, 0.0116765276, 0.5001080698, 0.4784628716 ] - [ -0.0671642292, -0.2506603157, 0.1614518258, 0.6025464168, 0.0539994053, 0.2015285241, -0.0318878346, -0.1190070187, -0.1802040846, -0.6725307993, 0.0018139796, 0.0067698639 ] - [ 0.1351336838, 0.6361088295, 0.0261766160, 0.2147481647, 0.0898137164, 0.1491178632, 0.0044152079, -0.6814288737, -0.0020454127, 0.1213036639, -0.1255804137, 0.0717342832 ] - [ 0.0976887801, 0.0148291920, 0.2362947570, -0.0907419842, -0.5849884487, 0.2897522702, 0.0730784039, 0.1229432905, -0.0162807798, -0.0156460759, -0.3327220279, 0.6069023786 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.25950255780328, 0.00000000000000 ] - [ -0.64940887650105, -0.03410795193893 ] - [ -0.03960760156851, 0.09052200472271 ] - # atom 2 - [ -0.06716422916875, -0.25066031571002 ] - [ 0.13513368384941, 0.63610882954873 ] - [ 0.09768878012482, 0.01482919195959 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.62380172111822, 0.00000000000000 ] - [ -0.21420572557735, -0.03029623426107 ] - [ 0.02649243285232, 0.25172886855164 ] - # atom 2 - [ 0.16145182578433, 0.60254641680442 ] - [ 0.02617661596376, 0.21474816469138 ] - [ 0.23629475698515, -0.09074198419398 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.20863760311794, 0.00000000000000 ] - [ -0.16728223341369, 0.04815882734329 ] - [ -0.12847300162961, -0.64004861874847 ] - # atom 2 - [ 0.05399940527621, 0.20152852407016 ] - [ 0.08981371638201, 0.14911786323626 ] - [ -0.58498844869531, 0.28975227024335 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.12320517758712, 0.00000000000000 ] - [ -0.65706725210540, -0.18063160085275 ] - [ 0.13766823329258, -0.03876826705638 ] - # atom 2 - [ -0.03188783456586, -0.11900701874364 ] - [ 0.00441520790968, -0.68142887366183 ] - [ 0.07307840391755, 0.12294329045420 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.69625537584173, 0.00000000000000 ] - [ 0.11664099340968, 0.03337142782925 ] - [ -0.01932673188224, 0.01167652756518 ] - # atom 2 - [ -0.18020408456237, -0.67253079932103 ] - [ -0.00204541270641, 0.12130366394919 ] - [ -0.01628077977771, -0.01564607593457 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00700868146761, 0.00000000000000 ] - [ 0.03678740771354, 0.13986761550654 ] - [ 0.50010806977813, 0.47846287158128 ] - # atom 2 - [ 0.00181397957083, 0.00676986392227 ] - [ -0.12558041368024, 0.07173428322393 ] - [ -0.33272202788137, 0.60690237856236 ] - q-position: [ 0.0000000, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.1506821933, -0.0000000000, 0.3294312569, 0.0000000000, -0.6072641417, 0.0000000000, 0.1341883160, 0.0000000000, 0.6942576479, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5251798743, -0.0104369082, -0.3489815112, 0.0106938870, -0.3196313760, 0.0032115257, 0.6776310025, 0.0365567581, -0.1309746654, -0.0070658059, -0.0531233569, -0.1394762851 ] - [ 0.4235898077, 0.1481335082, -0.4965226591, -0.1517816057, -0.1642491883, -0.0455823443, -0.1170925311, 0.0881070299, 0.0226320151, -0.0170296057, -0.6039220887, -0.3361585511 ] - [ 0.1065484403, -0.1065484403, 0.2329431622, -0.2329431622, -0.4294007521, 0.4294007521, -0.0948854330, 0.0948854330, -0.4909141083, 0.4909141083, -0.0000000000, 0.0000000000 ] - [ -0.3787383997, 0.3639783771, -0.2392055619, 0.2543290076, -0.2237427050, 0.2282844899, -0.5050068209, 0.4533077770, 0.0976093171, -0.0876167622, 0.1361884623, 0.0610607184 ] - [ 0.4042695838, -0.1947770897, -0.4584205122, 0.2437688272, -0.1483733547, 0.0839101613, 0.0204958368, -0.1450979472, -0.0039615002, 0.0280449906, 0.6647371482, -0.1893373428 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.15068219333603, -0.00000000000000 ] - [ -0.52517987427143, -0.01043690821141 ] - [ 0.42358980768829, 0.14813350820315 ] - # atom 2 - [ 0.10654844030296, -0.10654844030296 ] - [ -0.37873839974154, 0.36397837711523 ] - [ 0.40426958384671, -0.19477708966125 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.32943125686991, 0.00000000000000 ] - [ -0.34898151122090, 0.01069388702636 ] - [ -0.49652265909924, -0.15178160565651 ] - # atom 2 - [ 0.23294316222392, -0.23294316222392 ] - [ -0.23920556194281, 0.25432900762951 ] - [ -0.45842051221962, 0.24376882722172 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.60726414172076, 0.00000000000000 ] - [ -0.31963137600553, 0.00321152574142 ] - [ -0.16424918828825, -0.04558234431578 ] - # atom 2 - [ -0.42940075213776, 0.42940075213776 ] - [ -0.22374270496150, 0.22828448990855 ] - [ -0.14837335474325, 0.08391016125405 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.13418831601422, 0.00000000000000 ] - [ 0.67763100246591, 0.03655675810160 ] - [ -0.11709253111411, 0.08810702994318 ] - # atom 2 - [ -0.09488543295237, 0.09488543295237 ] - [ -0.50500682088856, 0.45330777699509 ] - [ 0.02049583681827, -0.14509794720499 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.69425764787575, 0.00000000000000 ] - [ -0.13097466535392, -0.00706580593473 ] - [ 0.02263201509716, -0.01702960567055 ] - # atom 2 - [ -0.49091410829094, 0.49091410829094 ] - [ 0.09760931705697, -0.08761676218798 ] - [ -0.00396150022454, 0.02804499057681 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05312335693841, -0.13947628505364 ] - [ -0.60392208865987, -0.33615855109252 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.13618846230212, 0.06106071835681 ] - [ 0.66473714822976, -0.18933734281488 ] - q-position: [ 0.0000000, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0281941368, 0.0000000000, -0.7063556115, 0.0000000000, -0.0163286948, 0.0000000000, 0.2703430583, 0.0000000000, -0.6528741663, 0.0000000000, -0.0258876096, 0.0000000000 ] - [ 0.6933371170, 0.0587652408, 0.0293009336, 0.0046572622, -0.0703569596, -0.0999986875, -0.6433265095, -0.1118945200, -0.2651497342, -0.0457212719, -0.0312676399, -0.0154386386 ] - [ -0.1136833703, 0.0459484062, 0.0097024264, 0.0093361527, -0.6160056247, -0.3245310313, 0.0200858054, -0.0110464623, 0.0361790867, -0.0071968721, -0.7026656123, 0.0661442861 ] - [ 0.0244168492, -0.0140970745, -0.6117221661, 0.3531779573, -0.0141410706, 0.0081643509, -0.2341238558, 0.1351714712, 0.5654053709, -0.3264369431, 0.0224193179, -0.0129437992 ] - [ 0.6298304474, -0.2957764940, 0.0277039958, -0.0106171640, -0.1109303057, -0.0514229460, 0.6130840971, -0.2247596614, 0.2524869332, -0.0929790442, 0.0347978748, -0.0022635657 ] - [ -0.0754785160, 0.0966342136, 0.0130706297, 0.0032341335, -0.6957423340, 0.0269507064, -0.0118715815, 0.0196094113, -0.0277335603, 0.0243222070, 0.5754538807, -0.4086152629 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.02819413680430, 0.00000000000000 ] - [ 0.69333711704508, 0.05876524082728 ] - [ -0.11368337033036, 0.04594840615311 ] - # atom 2 - [ 0.02441684918661, -0.01409707445064 ] - [ 0.62983044739688, -0.29577649401229 ] - [ -0.07547851600227, 0.09663421361907 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70635561146258, 0.00000000000000 ] - [ 0.02930093357435, 0.00465726220353 ] - [ 0.00970242644418, 0.00933615266286 ] - # atom 2 - [ -0.61172216609831, 0.35317795726569 ] - [ 0.02770399581845, -0.01061716396222 ] - [ 0.01307062971853, 0.00323413354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.01632869483059, 0.00000000000000 ] - [ -0.07035695956029, -0.09999868753984 ] - [ -0.61600562466724, -0.32453103134352 ] - # atom 2 - [ -0.01414107060131, 0.00816435091829 ] - [ -0.11093030567796, -0.05142294603808 ] - [ -0.69574233402328, 0.02695070643689 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.27034305834512, 0.00000000000000 ] - [ -0.64332650949096, -0.11189452002307 ] - [ 0.02008580543744, -0.01104646232193 ] - # atom 2 - [ -0.23412385581038, 0.13517147117567 ] - [ 0.61308409710849, -0.22475966142538 ] - [ -0.01187158150972, 0.01960941129782 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65287416628804, 0.00000000000000 ] - [ -0.26514973416944, -0.04572127194989 ] - [ 0.03617908674079, -0.00719687208205 ] - # atom 2 - [ 0.56540537088697, -0.32643694308246 ] - [ 0.25248693324020, -0.09297904418900 ] - [ -0.02773356026285, 0.02432220698552 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.02588760955768, 0.00000000000000 ] - [ -0.03126763987628, -0.01543863863882 ] - [ -0.70266561233246, 0.06614428607750 ] - # atom 2 - [ 0.02241931790096, -0.01294379922515 ] - [ 0.03479787483825, -0.00226356570585 ] - [ 0.57545388070246, -0.40861526290347 ] - q-position: [ 0.0000000, 0.5000000, 0.3333333 ] dynamical_matrix: - [ -0.1072503144, 0.0000000000, -0.3924591309, 0.0000000000, 0.5783362595, 0.0000000000, -0.4269054457, 0.0000000000, 0.2033764217, 0.0000000000, -0.5257282027, 0.0000000000 ] - [ -0.2714895011, 0.0074752007, -0.5157008220, 0.0050475904, -0.4003014284, 0.0048115443, 0.5421286164, 0.0108710312, -0.0311222583, 0.0216452103, -0.4522625777, -0.0004541834 ] - [ 0.6396308885, 0.0748792168, -0.2804542145, -0.0367161620, -0.0716991243, -0.0110295237, -0.1259590183, -0.0886838301, -0.5942697623, -0.3225596722, -0.1276094123, -0.0527676122 ] - [ -0.1035959256, 0.0277584446, -0.3790866920, 0.1015759730, 0.5586303445, -0.1496845497, 0.4123586889, -0.1104911777, -0.1964463922, 0.0526376522, 0.5078140712, -0.1360683703 ] - [ -0.2603041899, 0.0774872005, -0.4968226993, 0.1383488950, -0.3854164551, 0.1082533089, -0.5264692704, 0.1298125045, 0.0244595822, -0.0289626793, 0.4369693307, -0.1166153744 ] - [ 0.6372166354, -0.0932209557, -0.2804010192, 0.0371218305, -0.0721107403, 0.0079034030, 0.1446200256, 0.0530613696, 0.6575046089, 0.1577602683, 0.1369183882, 0.0179418399 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10725031444698, 0.00000000000000 ] - [ -0.27148950114521, 0.00747520071284 ] - [ 0.63963088848544, 0.07487921681739 ] - # atom 2 - [ -0.10359592558973, 0.02775844460098 ] - [ -0.26030418985824, 0.07748720045209 ] - [ 0.63721663542538, -0.09322095567757 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.39245913090475, 0.00000000000000 ] - [ -0.51570082202463, 0.00504759037341 ] - [ -0.28045421451213, -0.03671616195923 ] - # atom 2 - [ -0.37908669202380, 0.10157597298938 ] - [ -0.49682269932754, 0.13834889503207 ] - [ -0.28040101924826, 0.03712183050378 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.57833625949193, 0.00000000000000 ] - [ -0.40030142842663, 0.00481154434370 ] - [ -0.07169912431631, -0.01102952367031 ] - # atom 2 - [ 0.55863034447125, -0.14968454966891 ] - [ -0.38541645512910, 0.10825330885361 ] - [ -0.07211074027314, 0.00790340299890 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.42690544569289, 0.00000000000000 ] - [ 0.54212861636465, 0.01087103121297 ] - [ -0.12595901833022, -0.08868383006698 ] - # atom 2 - [ 0.41235868893170, -0.11049117769144 ] - [ -0.52646927038642, 0.12981250453271 ] - [ 0.14462002559807, 0.05306136955674 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.20337642173954, 0.00000000000000 ] - [ -0.03112225830955, 0.02164521029063 ] - [ -0.59426976232223, -0.32255967224142 ] - # atom 2 - [ -0.19644639222632, 0.05263765215316 ] - [ 0.02445958223789, -0.02896267928854 ] - [ 0.65750460894001, 0.15776026827910 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.52572820268231, 0.00000000000000 ] - [ -0.45226257771671, -0.00045418337306 ] - [ -0.12760941225430, -0.05276761222986 ] - # atom 2 - [ 0.50781407119471, -0.13606837028207 ] - [ 0.43696933065151, -0.11661537438726 ] - [ 0.13691838823208, 0.01794183988504 ] - q-position: [ 0.0000000, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, 0.0000000002, 0.0000000000, -0.0000000003, 0.0000000000, 0.9891146345, 0.0000000000, -0.1471470005, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, -0.0000000005, 0.0000000000, 0.0000000002, 0.0000000000, -0.1471470005, 0.0000000000, -0.9891146345, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2355711279, 0.0000000000, -0.9691586550, 0.0000000000, -0.0723722673, 0.0000000000, 0.0000000002, 0.0000000000, 0.0000000004, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1191211467, 0.0000000000, 0.1027004399, 0.0000000000, -0.9875539338, 0.0000000000, -0.0000000004, 0.0000000000, -0.0000000002, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.9645291059, 0.0000000000, 0.2240181265, 0.0000000000, 0.1396405487, 0.0000000000, -0.0000000001, 0.0000000000, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000008413, 0.00000000000000 ] - [ 0.00000000013538, 0.00000000000000 ] - # atom 2 - [ 0.23557112788278, 0.00000000000000 ] - [ 0.11912114666554, 0.00000000000000 ] - [ 0.96452910589838, 0.00000000000000 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000019242, 0.00000000000000 ] - [ -0.00000000046106, 0.00000000000000 ] - # atom 2 - [ -0.96915865503560, 0.00000000000000 ] - [ 0.10270043985877, 0.00000000000000 ] - [ 0.22401812654872, 0.00000000000000 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000033919, 0.00000000000000 ] - [ 0.00000000024163, 0.00000000000000 ] - # atom 2 - [ -0.07237226732400, 0.00000000000000 ] - [ -0.98755393375243, 0.00000000000000 ] - [ 0.13964054874026, 0.00000000000000 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.98911463453530, 0.00000000000000 ] - [ -0.14714700047263, 0.00000000000000 ] - # atom 2 - [ 0.00000000020845, 0.00000000000000 ] - [ -0.00000000040048, 0.00000000000000 ] - [ -0.00000000006707, 0.00000000000000 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14714700047263, 0.00000000000000 ] - [ -0.98911463453530, 0.00000000000000 ] - # atom 2 - [ 0.00000000043531, 0.00000000000000 ] - [ -0.00000000021324, 0.00000000000000 ] - [ 0.00000000007168, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.5000000, 0.6666667 ] dynamical_matrix: - [ -0.5737832601, 0.0000000000, 0.4132377038, 0.0000000000, 0.0026455538, 0.0000000000, -0.0240837856, 0.0000000000, 0.7062405794, 0.0000000000, -0.0253887139, 0.0000000000 ] - [ 0.4091338671, -0.0278565664, 0.5685844186, -0.0384785959, -0.0780008660, -0.0313071937, -0.6987668335, 0.0026704470, -0.0200044910, 0.0000716541, 0.1063845677, -0.0005399812 ] - [ 0.0509821196, -0.0025909072, 0.0666156656, -0.0052667069, 0.6518794096, 0.2607327929, -0.1055371955, -0.0001557309, -0.0287128998, -0.0000106131, -0.6985970192, -0.0001474980 ] - [ 0.5542324815, 0.1485061458, -0.3991572672, -0.1069538674, -0.0025554107, -0.0006847202, -0.0232631333, -0.0062333378, 0.6821755083, 0.1827883765, -0.0245235962, -0.0065710778 ] - [ -0.4024030776, -0.0789843186, -0.5591697834, -0.1099930885, 0.0672402029, 0.0504285740, -0.6756475915, -0.1782745784, -0.0193413855, -0.0051083269, 0.1028992825, 0.0270127503 ] - [ -0.0499155592, -0.0106925272, -0.0657089647, -0.0121541638, -0.5621849627, -0.4205676573, -0.1019007210, -0.0274654403, -0.0277317640, -0.0074416912, -0.6747542262, -0.1809525511 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.57378326013162, 0.00000000000000 ] - [ 0.40913386709712, -0.02785656642821 ] - [ 0.05098211957088, -0.00259090724903 ] - # atom 2 - [ 0.55423248153377, 0.14850614584638 ] - [ -0.40240307760904, -0.07898431855419 ] - [ -0.04991555920759, -0.01069252722550 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.41323770382209, 0.00000000000000 ] - [ 0.56858441863202, -0.03847859594485 ] - [ 0.06661566560682, -0.00526670686640 ] - # atom 2 - [ -0.39915726715362, -0.10695386738705 ] - [ -0.55916978339104, -0.10999308845020 ] - [ -0.06570896471896, -0.01215416381193 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00264555384998, 0.00000000000000 ] - [ -0.07800086596961, -0.03130719365554 ] - [ 0.65187940962808, 0.26073279291984 ] - # atom 2 - [ -0.00255541068759, -0.00068472023007 ] - [ 0.06724020291603, 0.05042857402421 ] - [ -0.56218496268548, -0.42056765731074 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02408378564152, 0.00000000000000 ] - [ -0.69876683354521, 0.00267044703868 ] - [ -0.10553719554861, -0.00015573091930 ] - # atom 2 - [ -0.02326313325783, -0.00623333776987 ] - [ -0.67564759151708, -0.17827457835978 ] - [ -0.10190072095865, -0.02746544028056 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70624057944528, 0.00000000000000 ] - [ -0.02000449095426, 0.00007165411672 ] - [ -0.02871289983454, -0.00001061306306 ] - # atom 2 - [ 0.68217550829727, 0.18278837654493 ] - [ -0.01934138553090, -0.00510832688837 ] - [ -0.02773176402598, -0.00744169121869 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02538871385813, 0.00000000000000 ] - [ 0.10638456774751, -0.00053998123767 ] - [ -0.69859701917185, -0.00014749804764 ] - # atom 2 - [ -0.02452359618699, -0.00657107779383 ] - [ 0.10289928246409, 0.02701275034027 ] - [ -0.67475422623569, -0.18095255111161 ] - q-position: [ 0.0000000, 0.5000000, 0.8333333 ] dynamical_matrix: - [ -0.2979184168, 0.0000000000, 0.6218186049, 0.0000000000, 0.1567993144, 0.0000000000, 0.2685002156, -0.0000000000, -0.0000000000, 0.0000000000, -0.6541466569, 0.0000000000 ] - [ -0.5815108819, -0.1161684598, -0.2238082713, 0.0013072519, -0.2173137964, -0.2259040311, -0.6429732827, 0.0720764338, 0.0806012709, -0.0660920226, -0.2639140064, 0.0295844025 ] - [ 0.2194566579, 0.1069259595, 0.1554680883, 0.1976846741, -0.1995721079, -0.5807984304, -0.0964271446, 0.0000000000, -0.5868486647, 0.3804525450, -0.0395793647, 0.0000000000 ] - [ 0.2580050279, 0.1489592723, -0.5385109394, -0.3109094358, -0.1357922478, -0.0783996908, 0.2325279079, 0.1342500502, 0.0000000000, 0.0000000000, -0.5665073796, -0.3270731881 ] - [ 0.4455191576, 0.3913604462, 0.1944773579, 0.1107720698, 0.0752472850, 0.3042956586, -0.5928691593, -0.2590665075, 0.1028487154, -0.0169367278, -0.2433483308, -0.1063361134 ] - [ -0.1365921197, -0.2023290131, -0.0357969923, -0.2489341007, -0.1175647503, 0.6027725078, -0.0835083210, -0.0482135516, -0.6984518246, 0.0360572211, -0.0342767206, -0.0197896739 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.29791841682434, 0.00000000000000 ] - [ -0.58151088191961, -0.11616845984106 ] - [ 0.21945665794064, 0.10692595952026 ] - # atom 2 - [ 0.25800502792497, 0.14895927232458 ] - [ 0.44551915755383, 0.39136044621776 ] - [ -0.13659211965249, -0.20232901305022 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.62181860488733, 0.00000000000000 ] - [ -0.22380827128134, 0.00130725192412 ] - [ 0.15546808833932, 0.19768467414611 ] - # atom 2 - [ -0.53851093943217, -0.31090943584235 ] - [ 0.19447735791139, 0.11077206979306 ] - [ -0.03579699226580, -0.24893410072682 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.15679931441988, 0.00000000000000 ] - [ -0.21731379644916, -0.22590403114652 ] - [ -0.19957210792783, -0.58079843042917 ] - # atom 2 - [ -0.13579224784674, -0.07839969084808 ] - [ 0.07524728503036, 0.30429565857599 ] - [ -0.11756475030435, 0.60277250781966 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.26850021559248, -0.00000000000000 ] - [ -0.64297328267212, 0.07207643377625 ] - [ -0.09642714462763, 0.00000000000000 ] - # atom 2 - [ 0.23252790785617, 0.13425005019470 ] - [ -0.59286915926012, -0.25906650751607 ] - [ -0.08350832103181, -0.04821355162723 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.08060127094922, -0.06609202262670 ] - [ -0.58684866466058, 0.38045254498147 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10284871540434, -0.01693672784078 ] - [ -0.69845182458552, 0.03605722108774 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65414665691808, 0.00000000000000 ] - [ -0.26391400642637, 0.02958440252410 ] - [ -0.03957936473063, 0.00000000000000 ] - # atom 2 - [ -0.56650737962583, -0.32707318812449 ] - [ -0.24334833083067, -0.10633611344675 ] - [ -0.03427672061560, -0.01978967387433 ] - q-position: [ 0.0000000, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.5797501983, 0.0000000000, -0.3931504447, 0.0000000000, 0.0965520322, 0.0000000000, 0.7024192805, 0.0000000000, -0.0796347113, 0.0000000000, 0.0162974719, 0.0000000000 ] - [ -0.3837784918, 0.0333929646, -0.4819049245, 0.0454193562, 0.3421421653, -0.0155660918, -0.0150041762, 0.0298570204, 0.0020988075, 0.2582572472, 0.6569338262, -0.0249060387 ] - [ -0.1131518682, -0.0518189246, -0.2984635367, -0.1485154216, -0.5358898510, -0.2935916684, -0.0419034614, 0.0611132374, -0.4121133721, 0.5070698285, -0.2076843721, -0.1562669886 ] - [ 0.1095625199, -0.5693035531, -0.0742984712, 0.3860661811, 0.0182466241, -0.0948122401, -0.1327447293, 0.6897618468, 0.0150495416, -0.0781997121, -0.0030799318, 0.0160037952 ] - [ -0.0397360886, 0.3831737824, -0.0464705611, 0.4818048285, 0.0493732068, -0.3389187467, -0.0264834818, -0.0203762493, -0.2540001483, -0.0467450310, -0.0996915512, 0.6498028275 ] - [ -0.0722688872, 0.1013201010, -0.2022436123, 0.2650186728, -0.3895750671, 0.4707499092, -0.0520929833, -0.0526976837, -0.4200504621, -0.5005143474, 0.1926997395, -0.1744102708 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.57975019833645, 0.00000000000000 ] - [ -0.38377849179572, 0.03339296463229 ] - [ -0.11315186824084, -0.05181892460747 ] - # atom 2 - [ 0.10956251986982, -0.56930355306146 ] - [ -0.03973608855445, 0.38317378235719 ] - [ -0.07226888723371, 0.10132010103087 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.39315044469942, 0.00000000000000 ] - [ -0.48190492451886, 0.04541935615937 ] - [ -0.29846353673080, -0.14851542156381 ] - # atom 2 - [ -0.07429847119122, 0.38606618108508 ] - [ -0.04647056112438, 0.48180482849268 ] - [ -0.20224361231894, 0.26501867275759 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.09655203218186, 0.00000000000000 ] - [ 0.34214216533712, -0.01556609180183 ] - [ -0.53588985097747, -0.29359166838024 ] - # atom 2 - [ 0.01824662410595, -0.09481224005470 ] - [ 0.04937320677099, -0.33891874670281 ] - [ -0.38957506707534, 0.47074990917406 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.70241928049907, 0.00000000000000 ] - [ -0.01500417617952, 0.02985702038531 ] - [ -0.04190346135180, 0.06111323738642 ] - # atom 2 - [ -0.13274472930606, 0.68976184678770 ] - [ -0.02648348177733, -0.02037624928217 ] - [ -0.05209298330009, -0.05269768366322 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.07963471125116, 0.00000000000000 ] - [ 0.00209880754097, 0.25825724722314 ] - [ -0.41211337209767, 0.50706982853342 ] - # atom 2 - [ 0.01504954160838, -0.07819971208931 ] - [ -0.25400014832034, -0.04674503095234 ] - [ -0.42005046209351, -0.50051434735980 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.01629747189504, 0.00000000000000 ] - [ 0.65693382617563, -0.02490603870193 ] - [ -0.20768437205409, -0.15626698857984 ] - # atom 2 - [ -0.00307993182297, 0.01600379520378 ] - [ -0.09969155121527, 0.64980282745298 ] - [ 0.19269973951745, -0.17441027078788 ] - q-position: [ 0.0000000, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.0550289475, 0.0000000000, 0.2042194921, 0.0000000000, 0.6747340426, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.4686357505, 0.0963058378, -0.4859542972, 0.0204807929, 0.1853024510, -0.0140532201, 0.6046190881, -0.0022667697, 0.0000000000, 0.0000000000, 0.3329828095, 0.1534706958 ] - [ -0.3638544936, 0.3683575105, 0.3781482559, -0.2805834421, -0.0847781664, 0.0548813008, -0.2125393862, 0.2987604645, 0.0000000000, -0.0000000000, 0.5256534645, -0.2987604645 ] - [ 0.0142425449, -0.0531539013, 0.0528559136, -0.1972609550, 0.1746340855, -0.6517432798, 0.0000000000, 0.0000000000, -0.1830126679, 0.6830125750, -0.0000000000, 0.0000000000 ] - [ -0.0282675720, 0.4775933370, -0.1059913397, 0.4746968017, 0.0343854480, -0.1826257320, -0.1542973463, 0.5846036582, -0.0000000000, 0.0000000000, -0.2344235143, 0.2819154517 ] - [ 0.2616336574, 0.4467945575, -0.1731508870, -0.4378836678, 0.0310690733, 0.0960937820, -0.2335711208, -0.2826220754, -0.0000000000, 0.0000000000, 0.1525312641, 0.5850669378 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.05502894750203, 0.00000000000000 ] - [ -0.46863575052698, 0.09630583775597 ] - [ -0.36385449361714, 0.36835751053137 ] - # atom 2 - [ 0.01424254493762, -0.05315390133651 ] - [ -0.02826757204449, 0.47759333698506 ] - [ 0.26163365735315, 0.44679455754665 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.20421949211727, 0.00000000000000 ] - [ -0.48595429715745, 0.02048079292758 ] - [ 0.37814825594382, -0.28058344208555 ] - # atom 2 - [ 0.05285591358097, -0.19726095496546 ] - [ -0.10599133970561, 0.47469680167567 ] - [ -0.17315088696836, -0.43788366784193 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.67473404255861, 0.00000000000000 ] - [ 0.18530245101745, -0.01405322011601 ] - [ -0.08477816641551, 0.05488130077119 ] - # atom 2 - [ 0.17463408548257, -0.65174327975700 ] - [ 0.03438544795157, -0.18262573198308 ] - [ 0.03106907326269, 0.09609378201200 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.60461908808840, -0.00226676965710 ] - [ -0.21253938623679, 0.29876046452177 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15429734634173, 0.58460365818466 ] - [ -0.23357112077375, -0.28262207539541 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301266788981, 0.68301257499636 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.33298280945299, 0.15347069580857 ] - [ 0.52565346452226, -0.29876046452177 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.23442351433144, 0.28191545166736 ] - [ 0.15253126413665, 0.58506693780444 ] - q-position: [ 0.0000000, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.2558507458, 0.0000000000, 0.6320054375, 0.0000000000, -0.1873743613, -0.0000000000, 0.0000000000, 0.0000000000, -0.1796316546, 0.0000000000, 0.6839099650, 0.0000000000 ] - [ -0.6576821809, 0.0016185259, 0.2313688967, -0.0031579076, -0.1176365620, -0.0084414629, -0.2657147910, 0.2187277479, -0.5929886147, -0.0727673759, -0.1557508027, -0.0191126388 ] - [ 0.0427236059, -0.0128936862, -0.2153934720, 0.0251568845, -0.6681756151, 0.0672473462, -0.0606815033, 0.6147128996, 0.2626399062, -0.2045055787, 0.0689834091, -0.0537141983 ] - [ 0.0000000000, -0.2558509359, 0.0000000000, -0.6320059072, -0.0000000000, 0.1873745005, 0.0000000000, 0.0000000000, -0.0000000000, -0.1796315211, -0.0000000000, 0.6839094568 ] - [ 0.0016185271, 0.6576826696, -0.0031579100, -0.2313690687, -0.0084414692, 0.1176366494, -0.2187275854, -0.2657145935, 0.0727673219, -0.5929881741, 0.0191126246, -0.1557506870 ] - [ -0.0128936958, -0.0427236377, 0.0251569032, 0.2153936321, 0.0672473962, 0.6681761116, -0.6147124427, -0.0606814582, 0.2045054267, 0.2626397110, 0.0537141584, 0.0689833578 ] band: - # 1 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.25585074577956, 0.00000000000000 ] - [ -0.65768218087144, 0.00161852593495 ] - [ 0.04272360590246, -0.01289368618036 ] - # atom 2 - [ 0.00000000000000, -0.25585093591634 ] - [ 0.00161852713777, 0.65768266963129 ] - [ -0.01289369576237, -0.04272363765272 ] - # 2 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.63200543751695, 0.00000000000000 ] - [ 0.23136889672599, -0.00315790762804 ] - [ -0.21539347200655, 0.02515688446092 ] - # atom 2 - [ 0.00000000000000, -0.63200590719500 ] - [ -0.00315790997486, -0.23136906866896 ] - [ 0.02515690315638, 0.21539363207730 ] - # 3 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.18737436125482, -0.00000000000000 ] - [ -0.11763656196691, -0.00844146293007 ] - [ -0.66817561507789, 0.06724734622607 ] - # atom 2 - [ -0.00000000000000, 0.18737450050302 ] - [ -0.00844146920339, 0.11763664938911 ] - [ 0.06724739620128, 0.66817611163598 ] - # 4 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.26571479098016, 0.21872774791609 ] - [ -0.06068150328239, 0.61471289955776 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21872758536757, -0.26571459351301 ] - [ -0.61471244273109, -0.06068145818666 ] - # 5 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ -0.17963165459989, 0.00000000000000 ] - [ -0.59298861474593, -0.07276737593712 ] - [ 0.26263990618896, -0.20450557865515 ] - # atom 2 - [ -0.00000000000000, -0.17963152110582 ] - [ 0.07276732185972, -0.59298817406377 ] - [ 0.20450542667591, 0.26263971100693 ] - # 6 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.68390996501228, 0.00000000000000 ] - [ -0.15575080270076, -0.01911263881093 ] - [ 0.06898340911268, -0.05371419828350 ] - # atom 2 - [ -0.00000000000000, 0.68390945676150 ] - [ 0.01911262460729, -0.15575068695385 ] - [ 0.05371415836555, 0.06898335784735 ] - q-position: [ 0.0000000, 0.6666667, 0.5000000 ] dynamical_matrix: - [ -0.5737832601, 0.0000000000, 0.4132377038, 0.0000000000, 0.0026455538, 0.0000000000, -0.0240837856, 0.0000000000, 0.7062405794, 0.0000000000, -0.0253887139, 0.0000000000 ] - [ 0.4091338671, -0.0278565664, 0.5685844186, -0.0384785959, -0.0780008660, -0.0313071937, -0.6987668335, 0.0026704470, -0.0200044910, 0.0000716541, 0.1063845677, -0.0005399812 ] - [ 0.0509821196, -0.0025909072, 0.0666156656, -0.0052667069, 0.6518794096, 0.2607327929, -0.1055371955, -0.0001557309, -0.0287128998, -0.0000106131, -0.6985970192, -0.0001474980 ] - [ 0.5542324815, 0.1485061458, -0.3991572672, -0.1069538674, -0.0025554107, -0.0006847202, -0.0232631333, -0.0062333378, 0.6821755083, 0.1827883765, -0.0245235962, -0.0065710778 ] - [ -0.4024030776, -0.0789843186, -0.5591697834, -0.1099930885, 0.0672402029, 0.0504285740, -0.6756475915, -0.1782745784, -0.0193413855, -0.0051083269, 0.1028992825, 0.0270127503 ] - [ -0.0499155592, -0.0106925272, -0.0657089647, -0.0121541638, -0.5621849627, -0.4205676573, -0.1019007210, -0.0274654403, -0.0277317640, -0.0074416912, -0.6747542262, -0.1809525511 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.57378326013162, 0.00000000000000 ] - [ 0.40913386709712, -0.02785656642821 ] - [ 0.05098211957088, -0.00259090724903 ] - # atom 2 - [ 0.55423248153377, 0.14850614584638 ] - [ -0.40240307760904, -0.07898431855419 ] - [ -0.04991555920759, -0.01069252722550 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.41323770382209, 0.00000000000000 ] - [ 0.56858441863202, -0.03847859594485 ] - [ 0.06661566560682, -0.00526670686640 ] - # atom 2 - [ -0.39915726715362, -0.10695386738705 ] - [ -0.55916978339104, -0.10999308845020 ] - [ -0.06570896471896, -0.01215416381193 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00264555384998, 0.00000000000000 ] - [ -0.07800086596961, -0.03130719365554 ] - [ 0.65187940962808, 0.26073279291984 ] - # atom 2 - [ -0.00255541068759, -0.00068472023007 ] - [ 0.06724020291603, 0.05042857402421 ] - [ -0.56218496268548, -0.42056765731074 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02408378564152, 0.00000000000000 ] - [ -0.69876683354521, 0.00267044703868 ] - [ -0.10553719554861, -0.00015573091930 ] - # atom 2 - [ -0.02326313325783, -0.00623333776987 ] - [ -0.67564759151708, -0.17827457835978 ] - [ -0.10190072095865, -0.02746544028056 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70624057944528, 0.00000000000000 ] - [ -0.02000449095426, 0.00007165411672 ] - [ -0.02871289983454, -0.00001061306306 ] - # atom 2 - [ 0.68217550829727, 0.18278837654493 ] - [ -0.01934138553090, -0.00510832688837 ] - [ -0.02773176402598, -0.00744169121869 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02538871385813, 0.00000000000000 ] - [ 0.10638456774751, -0.00053998123767 ] - [ -0.69859701917185, -0.00014749804764 ] - # atom 2 - [ -0.02452359618699, -0.00657107779383 ] - [ 0.10289928246409, 0.02701275034027 ] - [ -0.67475422623569, -0.18095255111161 ] - q-position: [ 0.0000000, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.3186032262, 0.0000000000, 0.2524135861, 0.0000000000, -0.5786010543, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6175921842, 0.0000000000, -0.0095111266, 0.0000000000, -0.3442226703, 0.0000000000, 0.7064606086, 0.0000000000, -0.0000000000, 0.0000000000, 0.0302257230, 0.0000000000 ] - [ 0.1306586871, 0.0000000000, -0.6604519167, 0.0000000000, -0.2161744376, 0.0000000000, -0.0302257230, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064606086, 0.0000000000 ] - [ -0.3186033446, 0.0000000000, -0.2524136799, 0.0000000000, 0.5786012693, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071066498, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6175924137, 0.0000000000, 0.0095111301, 0.0000000000, 0.3442227982, 0.0000000000, 0.7064603461, 0.0000000000, 0.0000000000, 0.0000000000, 0.0302257118, 0.0000000000 ] - [ -0.1306587356, 0.0000000000, 0.6604521621, 0.0000000000, 0.2161745179, 0.0000000000, -0.0302257118, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064603461, 0.0000000000 ] band: - # 1 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.31860322620826, 0.00000000000000 ] - [ -0.61759218417590, 0.00000000000000 ] - [ 0.13065868706606, 0.00000000000000 ] - # atom 2 - [ -0.31860334459404, 0.00000000000000 ] - [ 0.61759241365924, 0.00000000000000 ] - [ -0.13065873561589, 0.00000000000000 ] - # 2 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.25241358609809, 0.00000000000000 ] - [ -0.00951112657104, 0.00000000000000 ] - [ -0.66045191667202, 0.00000000000000 ] - # atom 2 - [ -0.25241367988929, 0.00000000000000 ] - [ 0.00951113010516, 0.00000000000000 ] - [ 0.66045216208107, 0.00000000000000 ] - # 3 frequency: 644.4479832027 eigenvector: - # atom 1 - [ -0.57860105428014, 0.00000000000000 ] - [ -0.34422267026953, 0.00000000000000 ] - [ -0.21617443759548, 0.00000000000000 ] - # atom 2 - [ 0.57860126927525, 0.00000000000000 ] - [ 0.34422279817492, 0.00000000000000 ] - [ 0.21617451792103, 0.00000000000000 ] - # 4 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70646060856596, 0.00000000000000 ] - [ -0.03022572304037, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70646034606121, 0.00000000000000 ] - [ -0.03022571180917, 0.00000000000000 ] - # 5 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710664981409, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03022572304037, 0.00000000000000 ] - [ 0.70646060856596, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03022571180917, 0.00000000000000 ] - [ 0.70646034606121, 0.00000000000000 ] - q-position: [ 0.0000000, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.0257352357, 0.0000000000, 0.0279357099, 0.0000000000, 0.7060857974, 0.0000000000, 0.0044058584, 0.0000000000, -0.0013856226, 0.0000000000, -0.7070917967, 0.0000000000 ] - [ 0.7026113037, 0.0214010478, -0.0688529371, 0.0247323970, -0.0228844879, -0.0017585371, 0.0722298087, 0.0256709590, -0.6977943206, -0.0848744574, 0.0018174640, 0.0003262753 ] - [ 0.0657265806, -0.0299487043, 0.4855455198, -0.5080478181, -0.0216057990, 0.0211920612, -0.7027957815, 0.0135157318, -0.0744747080, 0.0181975534, -0.0042331489, 0.0000485559 ] - [ -0.0256691686, -0.0018429634, -0.0278639937, -0.0020005447, -0.7042731438, -0.0505645367, 0.0043945453, 0.0003155142, -0.0013820647, -0.0000992278, -0.7052761642, -0.0506365504 ] - [ -0.6992749881, -0.0716618270, 0.0704473265, -0.0197381765, 0.0226998060, 0.0033928370, 0.0702059815, 0.0307775935, -0.6899244970, -0.1346272570, 0.0017894319, 0.0004555905 ] - [ -0.0677025485, 0.0251649787, -0.5206815851, 0.4719724586, 0.0230679484, -0.0195904129, -0.7019590743, -0.0368478755, -0.0755866465, 0.0128175131, -0.0042257565, -0.0002547148 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02573523574427, 0.00000000000000 ] - [ 0.70261130368272, 0.02140104776861 ] - [ 0.06572658062608, -0.02994870429611 ] - # atom 2 - [ -0.02566916860417, -0.00184296338728 ] - [ -0.69927498814343, -0.07166182699778 ] - [ -0.06770254847068, 0.02516497866288 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02793570985630, 0.00000000000000 ] - [ -0.06885293712366, 0.02473239698191 ] - [ 0.48554551979519, -0.50804781809153 ] - # atom 2 - [ -0.02786399368959, -0.00200054473852 ] - [ 0.07044732646138, -0.01973817651939 ] - [ -0.52068158510404, 0.47197245855574 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.70608579741626, 0.00000000000000 ] - [ -0.02288448786500, -0.00175853710722 ] - [ -0.02160579899203, 0.02119206116223 ] - # atom 2 - [ -0.70427314375489, -0.05056453672489 ] - [ 0.02269980596751, 0.00339283695092 ] - [ 0.02306794839093, -0.01959041290928 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00440585843811, 0.00000000000000 ] - [ 0.07222980866764, 0.02567095903196 ] - [ -0.70279578146893, 0.01351573180304 ] - # atom 2 - [ 0.00439454531073, 0.00031551415772 ] - [ 0.07020598149115, 0.03077759346660 ] - [ -0.70195907427236, -0.03684787550501 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00138562261970, 0.00000000000000 ] - [ -0.69779432061957, -0.08487445743732 ] - [ -0.07447470797804, 0.01819755341772 ] - # atom 2 - [ -0.00138206469213, -0.00009922778044 ] - [ -0.68992449695835, -0.13462725700180 ] - [ -0.07558664653666, 0.01281751310739 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.70709179666040, 0.00000000000000 ] - [ 0.00181746403030, 0.00032627528790 ] - [ -0.00423314893231, 0.00004855587285 ] - # atom 2 - [ -0.70527616420706, -0.05063655035332 ] - [ 0.00178943188254, 0.00045559048193 ] - [ -0.00422575648242, -0.00025471481943 ] - q-position: [ 0.0000000, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.5909518208, 0.0000000000, 0.3064336832, 0.0000000000, -0.2384832075, 0.0000000000, 0.0854499035, 0.0000000000, -0.0215174945, 0.0000000000, 0.7015949077, 0.0000000000 ] - [ -0.2690960556, -0.0001250174, 0.0101823412, 0.0070508759, -0.6537256576, 0.0087500776, 0.6653102346, -0.0589506062, 0.0583849916, -0.2102353358, -0.0792400230, 0.0007320263 ] - [ 0.0408785502, 0.2769333564, -0.0997362075, -0.6292833930, -0.0268584099, -0.1223539260, -0.1826999517, -0.1149185033, 0.5302827891, -0.4131943374, 0.0385151744, 0.0013239380 ] - [ 0.0113665632, -0.5908426183, 0.0058940470, -0.3063770571, -0.0045870651, 0.2384391381, -0.0016435711, 0.0854340780, 0.0004138745, -0.0215135094, -0.0134947035, 0.7014649703 ] - [ -0.0053008771, 0.2690439245, 0.0072454235, -0.0100448407, -0.0038255153, 0.6537731571, 0.0461428960, 0.6663208923, 0.2090734038, 0.0624179130, 0.0007922375, -0.0792394276 ] - [ 0.2776684532, -0.0355443683, -0.6310854666, 0.0876139318, -0.1228479197, 0.0245000507, 0.1184113301, -0.1804557355, 0.4029181819, 0.5381320927, -0.0020645061, 0.0384825763 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.59095182075631, 0.00000000000000 ] - [ -0.26909605558036, -0.00012501744513 ] - [ 0.04087855020195, 0.27693335635652 ] - # atom 2 - [ 0.01136656321162, -0.59084261834769 ] - [ -0.00530087707719, 0.26904392450126 ] - [ 0.27766845322918, -0.03554436825030 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.30643368320899, 0.00000000000000 ] - [ 0.01018234121594, 0.00705087588067 ] - [ -0.09973620748971, -0.62928339301955 ] - # atom 2 - [ 0.00589404704076, -0.30637705711002 ] - [ 0.00724542347052, -0.01004484072989 ] - [ -0.63108546656817, 0.08761393178593 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.23848320754876, 0.00000000000000 ] - [ -0.65372565759872, 0.00875007762847 ] - [ -0.02685840988337, -0.12235392603992 ] - # atom 2 - [ -0.00458706506741, 0.23843913806667 ] - [ -0.00382551530260, 0.65377315706162 ] - [ -0.12284791972946, 0.02450005072680 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.08544990352285, 0.00000000000000 ] - [ 0.66531023463942, -0.05895060617044 ] - [ -0.18269995171972, -0.11491850330889 ] - # atom 2 - [ -0.00164357109212, 0.08543407795587 ] - [ 0.04614289603158, 0.66632089231046 ] - [ 0.11841133005770, -0.18045573549003 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.02151749451727, 0.00000000000000 ] - [ 0.05838499162815, -0.21023533579585 ] - [ 0.53028278906542, -0.41319433738026 ] - # atom 2 - [ 0.00041387445164, -0.02151350941563 ] - [ 0.20907340378951, 0.06241791303185 ] - [ 0.40291818186435, 0.53813209274980 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70159490767441, 0.00000000000000 ] - [ -0.07924002300662, 0.00073202630027 ] - [ 0.03851517443872, 0.00132393796111 ] - # atom 2 - [ -0.01349470345894, 0.70146497028717 ] - [ 0.00079223751413, -0.07923942755802 ] - [ -0.00206450609094, 0.03848257626694 ] - q-position: [ 0.0000000, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.1707513841, 0.0000000000, 0.6801179415, 0.0000000000, 0.0910133317, 0.0000000000, 0.0829341747, 0.0000000000, 0.6973119597, 0.0000000000, 0.0829341747, 0.0000000000 ] - [ -0.6830630974, -0.0003805524, 0.1773611657, -0.0007776485, -0.0438676567, 0.0065251160, 0.6112336405, -0.1028387606, -0.0912918022, 0.0460628533, 0.1563493944, -0.2844584980 ] - [ -0.0644972082, 0.0104216714, -0.0743527882, 0.0212964029, 0.6766223332, -0.1786944862, -0.3101133022, -0.1130018244, -0.0271715712, 0.0506150252, 0.5385723377, -0.3125701735 ] - [ 0.0000000000, -0.1707514264, 0.0000000000, -0.6801181100, 0.0000000000, -0.0910133542, 0.0000000000, 0.0829341542, -0.0000000000, 0.6973117870, 0.0000000000, 0.0829341542 ] - [ -0.0003805525, 0.6830632666, -0.0007776487, -0.1773612096, 0.0065251176, 0.0438676676, 0.1028387351, 0.6112334891, -0.0460628419, -0.0912917796, 0.2844584276, 0.1563493557 ] - [ 0.0104216739, 0.0644972241, 0.0212964082, 0.0743528066, -0.1786945305, -0.6766225008, 0.1130017964, -0.3101132254, -0.0506150127, -0.0271715645, 0.3125700961, 0.5385722043 ] band: - # 1 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.17075138414574, 0.00000000000000 ] - [ -0.68306309740548, -0.00038055239376 ] - [ -0.06449720817127, 0.01042167136322 ] - # atom 2 - [ 0.00000000000000, -0.17075142644398 ] - [ -0.00038055248803, 0.68306326661270 ] - [ 0.01042167394486, 0.06449722414841 ] - # 2 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.68011794154378, 0.00000000000000 ] - [ 0.17736116570903, -0.00077764850145 ] - [ -0.07435278820577, 0.02129640294249 ] - # atom 2 - [ 0.00000000000000, -0.68011811002144 ] - [ -0.00077764869408, -0.17736120964464 ] - [ 0.02129640821800, 0.07435280662431 ] - # 3 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.09101333167967, 0.00000000000000 ] - [ -0.04386765671893, 0.00652511599194 ] - [ 0.67662233317721, -0.17869448620072 ] - # atom 2 - [ 0.00000000000000, -0.09101335422533 ] - [ 0.00652511760833, 0.04386766758576 ] - [ -0.17869453046661, -0.67662250078894 ] - # 4 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.08293417470491, 0.00000000000000 ] - [ 0.61123364053843, -0.10283876059597 ] - [ -0.31011330220262, -0.11300182438950 ] - # atom 2 - [ 0.00000000000000, 0.08293415416061 ] - [ 0.10283873512094, 0.61123348912471 ] - [ 0.11300179639688, -0.31011322538191 ] - # 5 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.69731195973622, 0.00000000000000 ] - [ -0.09129180223122, 0.04606285330698 ] - [ -0.02717157119889, 0.05061502521140 ] - # atom 2 - [ -0.00000000000000, 0.69731178699933 ] - [ -0.04606284189637, -0.09129177961657 ] - [ -0.05061501267313, -0.02717156446800 ] - # 6 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.08293417470491, 0.00000000000000 ] - [ 0.15634939441915, -0.28445849804096 ] - [ 0.53857233768743, -0.31257017349724 ] - # atom 2 - [ 0.00000000000000, 0.08293415416061 ] - [ 0.28445842757540, 0.15634935568856 ] - [ 0.31257009606791, 0.53857220427324 ] - q-position: [ 0.0000000, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.2595025578, 0.0000000000, -0.6238017211, 0.0000000000, -0.2086376031, 0.0000000000, -0.1232051776, 0.0000000000, -0.6962553758, 0.0000000000, 0.0070086815, 0.0000000000 ] - [ -0.6494088765, -0.0341079519, -0.2142057256, -0.0302962343, -0.1672822334, 0.0481588273, -0.6570672521, -0.1806316009, 0.1166409934, 0.0333714278, 0.0367874077, 0.1398676155 ] - [ -0.0396076016, 0.0905220047, 0.0264924329, 0.2517288686, -0.1284730016, -0.6400486187, 0.1376682333, -0.0387682671, -0.0193267319, 0.0116765276, 0.5001080698, 0.4784628716 ] - [ -0.0671642292, -0.2506603157, 0.1614518258, 0.6025464168, 0.0539994053, 0.2015285241, -0.0318878346, -0.1190070187, -0.1802040846, -0.6725307993, 0.0018139796, 0.0067698639 ] - [ 0.1351336838, 0.6361088295, 0.0261766160, 0.2147481647, 0.0898137164, 0.1491178632, 0.0044152079, -0.6814288737, -0.0020454127, 0.1213036639, -0.1255804137, 0.0717342832 ] - [ 0.0976887801, 0.0148291920, 0.2362947570, -0.0907419842, -0.5849884487, 0.2897522702, 0.0730784039, 0.1229432905, -0.0162807798, -0.0156460759, -0.3327220279, 0.6069023786 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.25950255780328, 0.00000000000000 ] - [ -0.64940887650105, -0.03410795193893 ] - [ -0.03960760156851, 0.09052200472271 ] - # atom 2 - [ -0.06716422916875, -0.25066031571002 ] - [ 0.13513368384941, 0.63610882954873 ] - [ 0.09768878012482, 0.01482919195959 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.62380172111822, 0.00000000000000 ] - [ -0.21420572557735, -0.03029623426107 ] - [ 0.02649243285232, 0.25172886855164 ] - # atom 2 - [ 0.16145182578433, 0.60254641680442 ] - [ 0.02617661596376, 0.21474816469138 ] - [ 0.23629475698515, -0.09074198419398 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.20863760311794, 0.00000000000000 ] - [ -0.16728223341369, 0.04815882734329 ] - [ -0.12847300162961, -0.64004861874847 ] - # atom 2 - [ 0.05399940527621, 0.20152852407016 ] - [ 0.08981371638201, 0.14911786323626 ] - [ -0.58498844869531, 0.28975227024335 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.12320517758712, 0.00000000000000 ] - [ -0.65706725210540, -0.18063160085275 ] - [ 0.13766823329258, -0.03876826705638 ] - # atom 2 - [ -0.03188783456586, -0.11900701874364 ] - [ 0.00441520790968, -0.68142887366183 ] - [ 0.07307840391755, 0.12294329045420 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.69625537584173, 0.00000000000000 ] - [ 0.11664099340968, 0.03337142782925 ] - [ -0.01932673188224, 0.01167652756518 ] - # atom 2 - [ -0.18020408456237, -0.67253079932103 ] - [ -0.00204541270641, 0.12130366394919 ] - [ -0.01628077977771, -0.01564607593457 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00700868146761, 0.00000000000000 ] - [ 0.03678740771354, 0.13986761550654 ] - [ 0.50010806977813, 0.47846287158128 ] - # atom 2 - [ 0.00181397957083, 0.00676986392227 ] - [ -0.12558041368024, 0.07173428322393 ] - [ -0.33272202788137, 0.60690237856236 ] - q-position: [ 0.0000000, 0.8333333, 0.5000000 ] dynamical_matrix: - [ -0.2979184168, 0.0000000000, 0.6218186049, 0.0000000000, 0.1567993144, 0.0000000000, 0.2685002156, -0.0000000000, -0.0000000000, 0.0000000000, -0.6541466569, 0.0000000000 ] - [ -0.5815108819, -0.1161684598, -0.2238082713, 0.0013072519, -0.2173137964, -0.2259040311, -0.6429732827, 0.0720764338, 0.0806012709, -0.0660920226, -0.2639140064, 0.0295844025 ] - [ 0.2194566579, 0.1069259595, 0.1554680883, 0.1976846741, -0.1995721079, -0.5807984304, -0.0964271446, 0.0000000000, -0.5868486647, 0.3804525450, -0.0395793647, 0.0000000000 ] - [ 0.2580050279, 0.1489592723, -0.5385109394, -0.3109094358, -0.1357922478, -0.0783996908, 0.2325279079, 0.1342500502, 0.0000000000, 0.0000000000, -0.5665073796, -0.3270731881 ] - [ 0.4455191576, 0.3913604462, 0.1944773579, 0.1107720698, 0.0752472850, 0.3042956586, -0.5928691593, -0.2590665075, 0.1028487154, -0.0169367278, -0.2433483308, -0.1063361134 ] - [ -0.1365921197, -0.2023290131, -0.0357969923, -0.2489341007, -0.1175647503, 0.6027725078, -0.0835083210, -0.0482135516, -0.6984518246, 0.0360572211, -0.0342767206, -0.0197896739 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.29791841682434, 0.00000000000000 ] - [ -0.58151088191961, -0.11616845984106 ] - [ 0.21945665794064, 0.10692595952026 ] - # atom 2 - [ 0.25800502792497, 0.14895927232458 ] - [ 0.44551915755383, 0.39136044621776 ] - [ -0.13659211965249, -0.20232901305022 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.62181860488733, 0.00000000000000 ] - [ -0.22380827128134, 0.00130725192412 ] - [ 0.15546808833932, 0.19768467414611 ] - # atom 2 - [ -0.53851093943217, -0.31090943584235 ] - [ 0.19447735791139, 0.11077206979306 ] - [ -0.03579699226580, -0.24893410072682 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.15679931441988, 0.00000000000000 ] - [ -0.21731379644916, -0.22590403114652 ] - [ -0.19957210792783, -0.58079843042917 ] - # atom 2 - [ -0.13579224784674, -0.07839969084808 ] - [ 0.07524728503036, 0.30429565857599 ] - [ -0.11756475030435, 0.60277250781966 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.26850021559248, -0.00000000000000 ] - [ -0.64297328267212, 0.07207643377625 ] - [ -0.09642714462763, 0.00000000000000 ] - # atom 2 - [ 0.23252790785617, 0.13425005019470 ] - [ -0.59286915926012, -0.25906650751607 ] - [ -0.08350832103181, -0.04821355162723 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.08060127094922, -0.06609202262670 ] - [ -0.58684866466058, 0.38045254498147 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10284871540434, -0.01693672784078 ] - [ -0.69845182458552, 0.03605722108774 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65414665691808, 0.00000000000000 ] - [ -0.26391400642637, 0.02958440252410 ] - [ -0.03957936473063, 0.00000000000000 ] - # atom 2 - [ -0.56650737962583, -0.32707318812449 ] - [ -0.24334833083067, -0.10633611344675 ] - [ -0.03427672061560, -0.01978967387433 ] - q-position: [ 0.0000000, 0.8333333, 0.6666667 ] dynamical_matrix: - [ 0.0257352357, 0.0000000000, 0.0279357099, 0.0000000000, 0.7060857974, 0.0000000000, 0.0044058584, 0.0000000000, -0.0013856226, 0.0000000000, -0.7070917967, 0.0000000000 ] - [ 0.7026113037, 0.0214010478, -0.0688529371, 0.0247323970, -0.0228844879, -0.0017585371, 0.0722298087, 0.0256709590, -0.6977943206, -0.0848744574, 0.0018174640, 0.0003262753 ] - [ 0.0657265806, -0.0299487043, 0.4855455198, -0.5080478181, -0.0216057990, 0.0211920612, -0.7027957815, 0.0135157318, -0.0744747080, 0.0181975534, -0.0042331489, 0.0000485559 ] - [ -0.0256691686, -0.0018429634, -0.0278639937, -0.0020005447, -0.7042731438, -0.0505645367, 0.0043945453, 0.0003155142, -0.0013820647, -0.0000992278, -0.7052761642, -0.0506365504 ] - [ -0.6992749881, -0.0716618270, 0.0704473265, -0.0197381765, 0.0226998060, 0.0033928370, 0.0702059815, 0.0307775935, -0.6899244970, -0.1346272570, 0.0017894319, 0.0004555905 ] - [ -0.0677025485, 0.0251649787, -0.5206815851, 0.4719724586, 0.0230679484, -0.0195904129, -0.7019590743, -0.0368478755, -0.0755866465, 0.0128175131, -0.0042257565, -0.0002547148 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02573523574427, 0.00000000000000 ] - [ 0.70261130368272, 0.02140104776861 ] - [ 0.06572658062608, -0.02994870429611 ] - # atom 2 - [ -0.02566916860417, -0.00184296338728 ] - [ -0.69927498814343, -0.07166182699778 ] - [ -0.06770254847068, 0.02516497866288 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02793570985630, 0.00000000000000 ] - [ -0.06885293712366, 0.02473239698191 ] - [ 0.48554551979519, -0.50804781809153 ] - # atom 2 - [ -0.02786399368959, -0.00200054473852 ] - [ 0.07044732646138, -0.01973817651939 ] - [ -0.52068158510404, 0.47197245855574 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.70608579741626, 0.00000000000000 ] - [ -0.02288448786500, -0.00175853710722 ] - [ -0.02160579899203, 0.02119206116223 ] - # atom 2 - [ -0.70427314375489, -0.05056453672489 ] - [ 0.02269980596751, 0.00339283695092 ] - [ 0.02306794839093, -0.01959041290928 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00440585843811, 0.00000000000000 ] - [ 0.07222980866764, 0.02567095903196 ] - [ -0.70279578146893, 0.01351573180304 ] - # atom 2 - [ 0.00439454531073, 0.00031551415772 ] - [ 0.07020598149115, 0.03077759346660 ] - [ -0.70195907427236, -0.03684787550501 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00138562261970, 0.00000000000000 ] - [ -0.69779432061957, -0.08487445743732 ] - [ -0.07447470797804, 0.01819755341772 ] - # atom 2 - [ -0.00138206469213, -0.00009922778044 ] - [ -0.68992449695835, -0.13462725700180 ] - [ -0.07558664653666, 0.01281751310739 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.70709179666040, 0.00000000000000 ] - [ 0.00181746403030, 0.00032627528790 ] - [ -0.00423314893231, 0.00004855587285 ] - # atom 2 - [ -0.70527616420706, -0.05063655035332 ] - [ 0.00178943188254, 0.00045559048193 ] - [ -0.00422575648242, -0.00025471481943 ] - q-position: [ 0.0000000, 0.8333333, 0.8333333 ] dynamical_matrix: - [ -0.1163123553, 0.0000000000, 0.1398304852, 0.0000000000, -0.6833145426, 0.0000000000, -0.0151197582, 0.0000000000, 0.0413892130, 0.0000000000, 0.7057325508, 0.0000000000 ] - [ 0.6036413748, 0.0000000000, -0.3268635360, 0.0000000000, -0.1696384749, 0.0000000000, -0.6552142877, 0.0000000000, 0.2642386610, 0.0000000000, -0.0295342928, 0.0000000000 ] - [ 0.3494115330, 0.0000000000, 0.6112344533, 0.0000000000, 0.0656042409, 0.0000000000, -0.2654538327, 0.0000000000, -0.6545723569, 0.0000000000, 0.0327016756, 0.0000000000 ] - [ 0.1163123802, 0.0000000000, -0.1398305152, 0.0000000000, 0.6833146892, 0.0000000000, -0.0151197549, 0.0000000000, 0.0413892041, 0.0000000000, 0.7057323994, 0.0000000000 ] - [ -0.6036415043, 0.0000000000, 0.3268636062, 0.0000000000, 0.1696385113, 0.0000000000, -0.6552141472, 0.0000000000, 0.2642386043, 0.0000000000, -0.0295342865, 0.0000000000 ] - [ -0.3494116079, 0.0000000000, -0.6112345845, 0.0000000000, -0.0656042549, 0.0000000000, -0.2654537758, 0.0000000000, -0.6545722164, 0.0000000000, 0.0327016686, 0.0000000000 ] band: - # 1 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.11631235526713, 0.00000000000000 ] - [ 0.60364137480156, 0.00000000000000 ] - [ 0.34941153297328, 0.00000000000000 ] - # atom 2 - [ 0.11631238021966, 0.00000000000000 ] - [ -0.60364150430095, 0.00000000000000 ] - [ -0.34941160793265, 0.00000000000000 ] - # 2 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.13983048522845, 0.00000000000000 ] - [ -0.32686353604369, 0.00000000000000 ] - [ 0.61123445333246, 0.00000000000000 ] - # atom 2 - [ -0.13983051522634, 0.00000000000000 ] - [ 0.32686360616583, 0.00000000000000 ] - [ -0.61123458446079, 0.00000000000000 ] - # 3 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.68331454261404, 0.00000000000000 ] - [ -0.16963847490337, 0.00000000000000 ] - [ 0.06560424086500, 0.00000000000000 ] - # atom 2 - [ 0.68331468920573, 0.00000000000000 ] - [ 0.16963851129596, 0.00000000000000 ] - [ -0.06560425493910, 0.00000000000000 ] - # 4 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ -0.01511975817513, 0.00000000000000 ] - [ -0.65521428773971, 0.00000000000000 ] - [ -0.26545383274616, 0.00000000000000 ] - # atom 2 - [ -0.01511975493148, 0.00000000000000 ] - [ -0.65521414717640, 0.00000000000000 ] - [ -0.26545377579827, 0.00000000000000 ] - # 5 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.04138921298911, 0.00000000000000 ] - [ 0.26423866097698, 0.00000000000000 ] - [ -0.65457235685476, 0.00000000000000 ] - # atom 2 - [ 0.04138920410987, 0.00000000000000 ] - [ 0.26423860428978, 0.00000000000000 ] - [ -0.65457221642916, 0.00000000000000 ] - # 6 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.70573255077687, 0.00000000000000 ] - [ -0.02953429281348, 0.00000000000000 ] - [ 0.03270167560141, 0.00000000000000 ] - # atom 2 - [ 0.70573239937586, 0.00000000000000 ] - [ -0.02953428647748, 0.00000000000000 ] - [ 0.03270166858591, 0.00000000000000 ] - q-position: [ 0.1666667, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.7069632458, 0.0000000000, 0.0052085522, 0.0000000000, -0.0132565847, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071068541, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0132756827, 0.0008544183, 0.0068344363, 0.0060103899, -0.7052964593, 0.0479269591, -0.6751659884, -0.0016601228, 0.0000000000, -0.0000000000, -0.2100908225, 0.0031751286 ] - [ 0.0050693876, -0.0004399780, -0.7027263193, 0.0778823071, -0.0057568406, 0.0071365144, -0.2101148142, 0.0000000000, 0.0000000000, 0.0000000000, 0.6750638087, -0.0118626352 ] - [ 0.7068326055, -0.0135979654, 0.0052075897, -0.0001001830, -0.0132541350, 0.0002549815, -0.0000000000, 0.0000000000, -0.7069758958, 0.0136007220, 0.0000000000, 0.0000000000 ] - [ -0.0132567954, 0.0011096093, 0.0069487791, 0.0058778235, -0.7042442840, 0.0614840085, 0.6750728771, -0.0113265457, -0.0000000000, 0.0000000000, 0.2099908417, -0.0072154954 ] - [ 0.0050599881, -0.0005374029, -0.7010984479, 0.0913843861, -0.0056185107, 0.0072459246, 0.2100759004, -0.0040414163, -0.0000000000, 0.0000000000, -0.6747106152, 0.0248448340 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.70696324578389, 0.00000000000000 ] - [ -0.01327568273890, 0.00085441833857 ] - [ 0.00506938755549, -0.00043997797166 ] - # atom 2 - [ 0.70683260554126, -0.01359796541655 ] - [ -0.01325679535046, 0.00110960933247 ] - [ 0.00505998809760, -0.00053740294848 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.00520855221191, 0.00000000000000 ] - [ 0.00683443625143, 0.00601038993605 ] - [ -0.70272631932202, 0.07788230705941 ] - # atom 2 - [ 0.00520758971983, -0.00010018301980 ] - [ 0.00694877914346, 0.00587782345944 ] - [ -0.70109844791332, 0.09138438610082 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.01325658468612, 0.00000000000000 ] - [ -0.70529645926244, 0.04792695907209 ] - [ -0.00575684056723, 0.00713651442111 ] - # atom 2 - [ -0.01325413499238, 0.00025498154420 ] - [ -0.70424428400866, 0.06148400850721 ] - [ -0.00561851067253, 0.00724592463929 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67516598839766, -0.00166012283346 ] - [ -0.21011481423313, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.67507287706172, -0.01132654570039 ] - [ 0.21007590036747, -0.00404141632071 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70710685405887, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70697589584337, 0.01360072201911 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21009082254750, 0.00317512858580 ] - [ 0.67506380867424, -0.01186263524841 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20999084167462, -0.00721549539976 ] - [ -0.67471061515797, 0.02484483397086 ] - q-position: [ 0.1666667, 0.0000000, 0.1666667 ] dynamical_matrix: - [ 0.5228066803, 0.0000000000, -0.4011106182, 0.0000000000, -0.2564826305, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068570, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.3042452712, -0.0000000000, 0.0115335905, 0.0000000000, -0.6382019147, -0.0000000000, 0.6800464973, -0.0000000000, -0.0000000000, 0.0000000000, 0.1937443387, -0.0000000000 ] - [ -0.3662074313, -0.0000000000, -0.5822174345, -0.0000000000, 0.1640575174, 0.0000000000, -0.1937443387, -0.0000000000, 0.0000000000, 0.0000000000, 0.6800464973, -0.0000000000 ] - [ 0.5228067925, -0.0000000000, -0.4011107043, 0.0000000000, -0.2564826855, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067053, 0.0000000000, 0.0000000000, -0.0000000000 ] - [ -0.3042453365, 0.0000000000, 0.0115335930, 0.0000000000, -0.6382020517, 0.0000000000, -0.6800463514, 0.0000000000, -0.0000000000, 0.0000000000, -0.1937442971, 0.0000000000 ] - [ -0.3662075098, 0.0000000000, -0.5822175594, 0.0000000000, 0.1640575526, -0.0000000000, 0.1937442971, -0.0000000000, -0.0000000000, 0.0000000000, -0.6800463514, 0.0000000000 ] band: - # 1 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.52280668030930, 0.00000000000000 ] - [ -0.30424527118730, -0.00000000000000 ] - [ -0.36620743127219, -0.00000000000000 ] - # atom 2 - [ 0.52280679246719, -0.00000000000000 ] - [ -0.30424533645714, 0.00000000000000 ] - [ -0.36620750983479, 0.00000000000000 ] - # 2 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.40111061820346, 0.00000000000000 ] - [ 0.01153359052045, 0.00000000000000 ] - [ -0.58221743445983, -0.00000000000000 ] - # atom 2 - [ -0.40111070425385, 0.00000000000000 ] - [ 0.01153359299475, 0.00000000000000 ] - [ -0.58221755936313, 0.00000000000000 ] - # 3 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.25648263045136, 0.00000000000000 ] - [ -0.63820191474542, -0.00000000000000 ] - [ 0.16405751743483, 0.00000000000000 ] - # atom 2 - [ -0.25648268547467, 0.00000000000000 ] - [ -0.63820205165909, 0.00000000000000 ] - [ 0.16405755263014, -0.00000000000000 ] - # 4 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68004649730607, -0.00000000000000 ] - [ -0.19374433867060, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.68004635141550, 0.00000000000000 ] - [ 0.19374429710657, -0.00000000000000 ] - # 5 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.70710685703446, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710670533862, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.19374433867059, -0.00000000000000 ] - [ 0.68004649730607, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.19374429710657, 0.00000000000000 ] - [ -0.68004635141550, 0.00000000000000 ] - q-position: [ 0.1666667, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.0257352357, 0.0000000000, -0.0279357099, 0.0000000000, 0.7060857974, 0.0000000000, -0.0044058584, 0.0000000000, 0.0013856226, 0.0000000000, -0.7070917967, 0.0000000000 ] - [ 0.7026113037, -0.0214010478, 0.0688529371, 0.0247323970, -0.0228844879, 0.0017585371, -0.0722298087, 0.0256709590, 0.6977943206, -0.0848744574, 0.0018174640, -0.0003262753 ] - [ 0.0657265806, 0.0299487043, -0.4855455198, -0.5080478181, -0.0216057990, -0.0211920612, 0.7027957815, 0.0135157318, 0.0744747080, 0.0181975534, -0.0042331489, -0.0000485559 ] - [ 0.0256691686, -0.0018429634, -0.0278639937, 0.0020005447, 0.7042731438, -0.0505645367, 0.0043945453, -0.0003155142, -0.0013820647, 0.0000992278, 0.7052761642, -0.0506365504 ] - [ 0.6992749881, -0.0716618270, 0.0704473265, 0.0197381765, -0.0226998060, 0.0033928370, 0.0702059815, -0.0307775935, -0.6899244970, 0.1346272570, -0.0017894319, 0.0004555905 ] - [ 0.0677025485, 0.0251649787, -0.5206815851, -0.4719724586, -0.0230679484, -0.0195904129, -0.7019590743, 0.0368478755, -0.0755866465, -0.0128175131, 0.0042257565, -0.0002547148 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.02573523574427, 0.00000000000000 ] - [ 0.70261130368272, -0.02140104776861 ] - [ 0.06572658062608, 0.02994870429611 ] - # atom 2 - [ 0.02566916860417, -0.00184296338728 ] - [ 0.69927498814343, -0.07166182699778 ] - [ 0.06770254847068, 0.02516497866288 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.02793570985630, 0.00000000000000 ] - [ 0.06885293712366, 0.02473239698191 ] - [ -0.48554551979519, -0.50804781809153 ] - # atom 2 - [ -0.02786399368959, 0.00200054473852 ] - [ 0.07044732646138, 0.01973817651939 ] - [ -0.52068158510404, -0.47197245855574 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.70608579741626, 0.00000000000000 ] - [ -0.02288448786500, 0.00175853710722 ] - [ -0.02160579899203, -0.02119206116223 ] - # atom 2 - [ 0.70427314375489, -0.05056453672489 ] - [ -0.02269980596751, 0.00339283695092 ] - [ -0.02306794839093, -0.01959041290928 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00440585843811, 0.00000000000000 ] - [ -0.07222980866764, 0.02567095903196 ] - [ 0.70279578146893, 0.01351573180304 ] - # atom 2 - [ 0.00439454531073, -0.00031551415772 ] - [ 0.07020598149115, -0.03077759346660 ] - [ -0.70195907427236, 0.03684787550501 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00138562261970, 0.00000000000000 ] - [ 0.69779432061957, -0.08487445743732 ] - [ 0.07447470797804, 0.01819755341772 ] - # atom 2 - [ -0.00138206469213, 0.00009922778044 ] - [ -0.68992449695835, 0.13462725700180 ] - [ -0.07558664653666, -0.01281751310739 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.70709179666040, 0.00000000000000 ] - [ 0.00181746403030, -0.00032627528790 ] - [ -0.00423314893231, -0.00004855587285 ] - # atom 2 - [ 0.70527616420706, -0.05063655035332 ] - [ -0.00178943188254, 0.00045559048193 ] - [ 0.00422575648242, -0.00025471481943 ] - q-position: [ 0.1666667, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0281941368, 0.0000000000, -0.7063556115, 0.0000000000, -0.0163286948, 0.0000000000, 0.2703430583, 0.0000000000, -0.6528741663, 0.0000000000, -0.0258876096, 0.0000000000 ] - [ 0.6933371170, 0.0587652408, 0.0293009336, 0.0046572622, -0.0703569596, -0.0999986875, -0.6433265095, -0.1118945200, -0.2651497342, -0.0457212719, -0.0312676399, -0.0154386386 ] - [ -0.1136833703, 0.0459484062, 0.0097024264, 0.0093361527, -0.6160056247, -0.3245310313, 0.0200858054, -0.0110464623, 0.0361790867, -0.0071968721, -0.7026656123, 0.0661442861 ] - [ 0.0244168492, -0.0140970745, -0.6117221661, 0.3531779573, -0.0141410706, 0.0081643509, -0.2341238558, 0.1351714712, 0.5654053709, -0.3264369431, 0.0224193179, -0.0129437992 ] - [ 0.6298304474, -0.2957764940, 0.0277039958, -0.0106171640, -0.1109303057, -0.0514229460, 0.6130840971, -0.2247596614, 0.2524869332, -0.0929790442, 0.0347978748, -0.0022635657 ] - [ -0.0754785160, 0.0966342136, 0.0130706297, 0.0032341335, -0.6957423340, 0.0269507064, -0.0118715815, 0.0196094113, -0.0277335603, 0.0243222070, 0.5754538807, -0.4086152629 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.02819413680430, 0.00000000000000 ] - [ 0.69333711704508, 0.05876524082728 ] - [ -0.11368337033036, 0.04594840615311 ] - # atom 2 - [ 0.02441684918661, -0.01409707445064 ] - [ 0.62983044739688, -0.29577649401229 ] - [ -0.07547851600227, 0.09663421361907 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70635561146258, 0.00000000000000 ] - [ 0.02930093357435, 0.00465726220353 ] - [ 0.00970242644418, 0.00933615266286 ] - # atom 2 - [ -0.61172216609831, 0.35317795726569 ] - [ 0.02770399581845, -0.01061716396222 ] - [ 0.01307062971853, 0.00323413354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.01632869483059, 0.00000000000000 ] - [ -0.07035695956029, -0.09999868753984 ] - [ -0.61600562466724, -0.32453103134352 ] - # atom 2 - [ -0.01414107060131, 0.00816435091829 ] - [ -0.11093030567796, -0.05142294603808 ] - [ -0.69574233402328, 0.02695070643689 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.27034305834512, 0.00000000000000 ] - [ -0.64332650949096, -0.11189452002307 ] - [ 0.02008580543744, -0.01104646232193 ] - # atom 2 - [ -0.23412385581038, 0.13517147117567 ] - [ 0.61308409710849, -0.22475966142538 ] - [ -0.01187158150972, 0.01960941129782 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65287416628804, 0.00000000000000 ] - [ -0.26514973416944, -0.04572127194989 ] - [ 0.03617908674079, -0.00719687208205 ] - # atom 2 - [ 0.56540537088697, -0.32643694308246 ] - [ 0.25248693324020, -0.09297904418900 ] - [ -0.02773356026285, 0.02432220698552 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.02588760955768, 0.00000000000000 ] - [ -0.03126763987628, -0.01543863863882 ] - [ -0.70266561233246, 0.06614428607750 ] - # atom 2 - [ 0.02241931790096, -0.01294379922515 ] - [ 0.03479787483825, -0.00226356570585 ] - [ 0.57545388070246, -0.40861526290347 ] - q-position: [ 0.1666667, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.0550289475, 0.0000000000, 0.2042194921, 0.0000000000, 0.6747340426, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.4686357505, 0.0963058378, -0.4859542972, 0.0204807929, 0.1853024510, -0.0140532201, 0.6046190881, -0.0022667697, 0.0000000000, 0.0000000000, 0.3329828095, 0.1534706958 ] - [ -0.3638544936, 0.3683575105, 0.3781482559, -0.2805834421, -0.0847781664, 0.0548813008, -0.2125393862, 0.2987604645, 0.0000000000, -0.0000000000, 0.5256534645, -0.2987604645 ] - [ 0.0142425449, -0.0531539013, 0.0528559136, -0.1972609550, 0.1746340855, -0.6517432798, 0.0000000000, 0.0000000000, -0.1830126679, 0.6830125750, -0.0000000000, 0.0000000000 ] - [ -0.0282675720, 0.4775933370, -0.1059913397, 0.4746968017, 0.0343854480, -0.1826257320, -0.1542973463, 0.5846036582, -0.0000000000, 0.0000000000, -0.2344235143, 0.2819154517 ] - [ 0.2616336574, 0.4467945575, -0.1731508870, -0.4378836678, 0.0310690733, 0.0960937820, -0.2335711208, -0.2826220754, -0.0000000000, 0.0000000000, 0.1525312641, 0.5850669378 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.05502894750203, 0.00000000000000 ] - [ -0.46863575052698, 0.09630583775597 ] - [ -0.36385449361714, 0.36835751053137 ] - # atom 2 - [ 0.01424254493762, -0.05315390133651 ] - [ -0.02826757204449, 0.47759333698506 ] - [ 0.26163365735315, 0.44679455754665 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.20421949211727, 0.00000000000000 ] - [ -0.48595429715745, 0.02048079292758 ] - [ 0.37814825594382, -0.28058344208555 ] - # atom 2 - [ 0.05285591358097, -0.19726095496546 ] - [ -0.10599133970561, 0.47469680167567 ] - [ -0.17315088696836, -0.43788366784193 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.67473404255861, 0.00000000000000 ] - [ 0.18530245101745, -0.01405322011601 ] - [ -0.08477816641551, 0.05488130077119 ] - # atom 2 - [ 0.17463408548257, -0.65174327975700 ] - [ 0.03438544795157, -0.18262573198308 ] - [ 0.03106907326269, 0.09609378201200 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.60461908808840, -0.00226676965710 ] - [ -0.21253938623679, 0.29876046452177 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15429734634173, 0.58460365818466 ] - [ -0.23357112077375, -0.28262207539541 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301266788981, 0.68301257499636 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.33298280945299, 0.15347069580857 ] - [ 0.52565346452226, -0.29876046452177 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.23442351433144, 0.28191545166736 ] - [ 0.15253126413665, 0.58506693780444 ] - q-position: [ 0.1666667, 0.0000000, 0.8333333 ] dynamical_matrix: - [ -0.2564190376, 0.0000000000, -0.6393749640, 0.0000000000, -0.1595268276, 0.0000000000, 0.1245327657, 0.0000000000, 0.6956741479, 0.0000000000, -0.0230042175, 0.0000000000 ] - [ 0.6375864127, 0.0020467234, -0.1974975597, -0.0025536943, -0.2332792529, 0.0069452227, 0.6147944442, 0.1989955471, -0.1082473524, -0.0441032311, 0.0546494506, -0.2564752243 ] - [ -0.1568018967, -0.0560508323, 0.2174784633, 0.0699345556, -0.6196029517, -0.1901993789, -0.1382298873, 0.2186613271, 0.0051457701, -0.0484617429, -0.5926900531, -0.2818214464 ] - [ -0.0000000000, 0.2564191011, -0.0000000000, 0.6393751224, -0.0000000000, 0.1595268671, 0.0000000000, 0.1245327349, -0.0000000000, 0.6956739756, 0.0000000000, -0.0230042118 ] - [ 0.0020467239, -0.6375865706, -0.0025536949, 0.1974976087, 0.0069452245, 0.2332793107, -0.1989954978, 0.6147942920, 0.0441032201, -0.1082473256, 0.2564751608, 0.0546494371 ] - [ -0.0560508461, 0.1568019355, 0.0699345730, -0.2174785172, -0.1901994260, 0.6196031052, -0.2186612729, -0.1382298530, 0.0484617309, 0.0051457689, 0.2818213766, -0.5926899063 ] band: - # 1 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.25641903755954, 0.00000000000000 ] - [ 0.63758641268967, 0.00204672337510 ] - [ -0.15680189666704, -0.05605083225499 ] - # atom 2 - [ -0.00000000000000, 0.25641910107923 ] - [ 0.00204672388211, -0.63758657063148 ] - [ -0.05605084613980, 0.15680193550974 ] - # 2 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.63937496400730, 0.00000000000000 ] - [ -0.19749755972821, -0.00255369428014 ] - [ 0.21747846334257, 0.06993455562600 ] - # atom 2 - [ -0.00000000000000, 0.63937512239218 ] - [ -0.00255369491274, 0.19749760865197 ] - [ 0.06993457295007, -0.21747851721597 ] - # 3 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.15952682758260, 0.00000000000000 ] - [ -0.23327925292628, 0.00694522273933 ] - [ -0.61960295167263, -0.19019937890571 ] - # atom 2 - [ -0.00000000000000, 0.15952686710031 ] - [ 0.00694522445979, 0.23327931071382 ] - [ -0.19019942602158, 0.61960310515962 ] - # 4 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.12453276571202, 0.00000000000000 ] - [ 0.61479444424640, 0.19899554707569 ] - [ -0.13822988728995, 0.21866132705822 ] - # atom 2 - [ 0.00000000000000, 0.12453273486298 ] - [ -0.19899549778086, 0.61479429195061 ] - [ -0.21866127289183, -0.13822985304788 ] - # 5 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.69567414793075, 0.00000000000000 ] - [ -0.10824735238506, -0.04410323106513 ] - [ 0.00514577014356, -0.04846174285794 ] - # atom 2 - [ -0.00000000000000, 0.69567397559958 ] - [ 0.04410322013996, -0.10824732557022 ] - [ 0.04846173085309, 0.00514576886886 ] - # 6 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ -0.02300421752801, 0.00000000000000 ] - [ 0.05464945063309, -0.25647522430769 ] - [ -0.59269005310032, -0.28182144640324 ] - # atom 2 - [ 0.00000000000000, -0.02300421182944 ] - [ 0.25647516077410, 0.05464943709543 ] - [ 0.28182137659093, -0.59268990628019 ] - q-position: [ 0.1666667, 0.1666667, 0.0000000 ] dynamical_matrix: - [ -0.5982316167, 0.0000000000, 0.3761345374, 0.0000000000, 0.0253305213, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071068570, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.3765256286, 0.0000000000, 0.5938013103, 0.0000000000, 0.0750223138, 0.0000000000, -0.5995289757, 0.0000000000, -0.0000000000, 0.0000000000, 0.3749201442, -0.0000000000 ] - [ 0.0186353579, -0.0000000000, 0.0769591211, -0.0000000000, -0.7026591705, 0.0000000000, -0.3749201442, 0.0000000000, 0.0000000000, 0.0000000000, -0.5995289757, 0.0000000000 ] - [ -0.5982317450, 0.0000000000, 0.3761346181, -0.0000000000, 0.0253305268, -0.0000000000, -0.0000000000, 0.0000000000, -0.7071067053, 0.0000000000, 0.0000000000, -0.0000000000 ] - [ 0.3765257094, -0.0000000000, 0.5938014377, -0.0000000000, 0.0750223299, -0.0000000000, 0.5995288471, -0.0000000000, -0.0000000000, 0.0000000000, -0.3749200638, 0.0000000000 ] - [ 0.0186353619, -0.0000000000, 0.0769591376, -0.0000000000, -0.7026593212, 0.0000000000, 0.3749200638, -0.0000000000, -0.0000000000, 0.0000000000, 0.5995288471, -0.0000000000 ] band: - # 1 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.59823161666669, 0.00000000000000 ] - [ 0.37652562859678, 0.00000000000000 ] - [ 0.01863535792506, -0.00000000000000 ] - # atom 2 - [ -0.59823174500552, 0.00000000000000 ] - [ 0.37652570937295, -0.00000000000000 ] - [ 0.01863536192291, -0.00000000000000 ] - # 2 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.37613453742504, 0.00000000000000 ] - [ 0.59380131034955, 0.00000000000000 ] - [ 0.07695912108422, -0.00000000000000 ] - # atom 2 - [ 0.37613461811731, -0.00000000000000 ] - [ 0.59380143773794, -0.00000000000000 ] - [ 0.07695913759429, -0.00000000000000 ] - # 3 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.02533052133791, 0.00000000000000 ] - [ 0.07502231382596, 0.00000000000000 ] - [ -0.70265917047442, 0.00000000000000 ] - # atom 2 - [ 0.02533052677208, -0.00000000000000 ] - [ 0.07502232992052, -0.00000000000000 ] - [ -0.70265932121612, 0.00000000000000 ] - # 4 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.59952897571325, 0.00000000000000 ] - [ -0.37492014422457, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.59952884709613, -0.00000000000000 ] - [ 0.37492006379284, -0.00000000000000 ] - # 5 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.70710685703446, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710670533862, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.37492014422457, -0.00000000000000 ] - [ -0.59952897571325, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.37492006379284, 0.00000000000000 ] - [ 0.59952884709613, -0.00000000000000 ] - q-position: [ 0.1666667, 0.1666667, 0.1666667 ] dynamical_matrix: - [ -0.7046428186, 0.0000000000, 0.0587992982, 0.0000000000, 0.0045866832, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071068541, 0.0000000000 ] - [ 0.0201116008, 0.0005903757, 0.1880033510, 0.0032480975, 0.6795825745, 0.0490590081, -0.6751659884, 0.0016601168, 0.2100080574, -0.0066970869, 0.0000000000, 0.0000000000 ] - [ -0.0546808150, -0.0091421316, -0.6696739657, -0.1127985326, 0.1844286064, 0.0415413844, -0.2101148142, -0.0000000000, -0.6748758584, 0.0198606053, 0.0000000000, -0.0000000000 ] - [ -0.7045126072, -0.0135533336, 0.0587884327, 0.0011309652, 0.0045858356, 0.0000882218, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.7069758958, -0.0136007220 ] - [ 0.0200965289, 0.0009770998, 0.1879061347, 0.0068636161, 0.6785133767, 0.0621212589, 0.6750728770, 0.0113265518, -0.2100979772, 0.0026564836, -0.0000000000, -0.0000000000 ] - [ -0.0544948678, -0.0101921912, -0.6673806118, -0.1256584196, 0.1835955050, 0.0450810688, 0.2100759003, 0.0040414163, 0.6751328748, -0.0068761464, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.70464281860292, 0.00000000000000 ] - [ 0.02011160078399, 0.00059037568002 ] - [ -0.05468081504745, -0.00914213161773 ] - # atom 2 - [ -0.70451260715369, -0.01355333355097 ] - [ 0.02009652886540, 0.00097709978024 ] - [ -0.05449486775061, -0.01019219115916 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.05879929822501, 0.00000000000000 ] - [ 0.18800335099150, 0.00324809754652 ] - [ -0.66967396573589, -0.11279853263708 ] - # atom 2 - [ 0.05878843266073, 0.00113096519310 ] - [ 0.18790613473322, 0.00686361610137 ] - [ -0.66738061183826, -0.12565841955905 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.00458668317569, 0.00000000000000 ] - [ 0.67958257446722, 0.04905900806406 ] - [ 0.18442860644331, 0.04154138435427 ] - # atom 2 - [ 0.00458583559923, 0.00008822178461 ] - [ 0.67851337669500, 0.06212125892314 ] - [ 0.18359550499255, 0.04508106884371 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67516598842161, 0.00166011675387 ] - [ -0.21011481420418, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.67507287696873, 0.01132655177932 ] - [ 0.21007590033854, 0.00404141632016 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.21000805740570, -0.00669708688485 ] - [ -0.67487585841121, 0.01986060529532 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21009797724774, 0.00265648363982 ] - [ 0.67513287477672, -0.00687614643400 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70710685405887, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70697589584337, -0.01360072201911 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.1666667, 0.1666667, 0.3333333 ] dynamical_matrix: - [ -0.3226516303, 0.0000000000, 0.6292025124, 0.0000000000, -0.0000000000, 0.0000000000, 0.0303219849, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064564396, 0.0000000000 ] - [ 0.6287834482, -0.0000000000, 0.3224367364, -0.0000000000, -0.0258031475, 0.0000000000, 0.5224825977, 0.0000000000, -0.4759297757, -0.0000000000, -0.0224255999, -0.0000000000 ] - [ 0.0229603331, 0.0000000000, 0.0117739341, 0.0000000000, 0.7066357433, -0.0000000000, -0.4754919938, 0.0000000000, -0.5229636435, -0.0000000000, 0.0204087050, -0.0000000000 ] - [ -0.3226517102, -0.0000000000, 0.6292026683, 0.0000000000, 0.0000000000, -0.0000000000, -0.0303219774, -0.0000000000, -0.0000000000, 0.0000000000, -0.7064562646, -0.0000000000 ] - [ 0.6287836040, 0.0000000000, 0.3224368163, 0.0000000000, -0.0258031539, 0.0000000000, -0.5224824683, -0.0000000000, 0.4759296578, 0.0000000000, 0.0224255943, 0.0000000000 ] - [ 0.0229603388, 0.0000000000, 0.0117739370, 0.0000000000, 0.7066359184, -0.0000000000, 0.4754918760, 0.0000000000, 0.5229635140, 0.0000000000, -0.0204087000, -0.0000000000 ] band: - # 1 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.32265163025033, 0.00000000000000 ] - [ 0.62878344820757, -0.00000000000001 ] - [ 0.02296033313940, 0.00000000000000 ] - # atom 2 - [ -0.32265171017704, -0.00000000000017 ] - [ 0.62878360396873, 0.00000000000031 ] - [ 0.02296033882709, 0.00000000000001 ] - # 2 frequency: 455.6935390447 eigenvector: - # atom 1 - [ 0.62920251242161, 0.00000000000000 ] - [ 0.32243673639792, -0.00000000000001 ] - [ 0.01177393410272, 0.00000000000000 ] - # atom 2 - [ 0.62920266828659, 0.00000000000033 ] - [ 0.32243681627140, 0.00000000000016 ] - [ 0.01177393701934, 0.00000000000001 ] - # 3 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.02580314752365, 0.00000000000069 ] - [ 0.70663574330679, -0.00000000001876 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02580315391556, 0.00000000000067 ] - [ 0.70663591835339, -0.00000000001839 ] - # 4 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.03032198494278, 0.00000000000000 ] - [ 0.52248259771772, 0.00000000000005 ] - [ -0.47549199380263, 0.00000000000000 ] - # atom 2 - [ -0.03032197743147, -0.00000000000002 ] - [ -0.52248246828926, -0.00000000000032 ] - [ 0.47549187601460, 0.00000000000025 ] - # 5 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.47592977571325, -0.00000000000017 ] - [ -0.52296364352474, -0.00000000000014 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.47592965781676, 0.00000000000042 ] - [ 0.52296351397711, 0.00000000000041 ] - # 6 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.70645643962545, 0.00000000000000 ] - [ -0.02242559989864, -0.00000000000000 ] - [ 0.02040870500683, -0.00000000000000 ] - # atom 2 - [ -0.70645626462331, -0.00000000000037 ] - [ 0.02242559434341, 0.00000000000001 ] - [ -0.02040869995123, -0.00000000000001 ] - q-position: [ 0.1666667, 0.1666667, 0.5000000 ] dynamical_matrix: - [ -0.2113941152, 0.0000000000, -0.3018323496, 0.0000000000, 0.6034977838, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6148017110, 0.0115013666, 0.3452457002, -0.0277937703, -0.0426830778, -0.0098720127, -0.5989139169, 0.1749988334, 0.0000000000, -0.0000000000, 0.3128037001, -0.1132764733 ] - [ -0.2630343580, -0.0895089019, -0.5221077456, -0.1278024326, -0.3532621472, -0.0952722035, -0.3325032887, 0.0109214114, 0.0000000000, -0.0000000000, -0.6210843053, 0.0598059977 ] - [ -0.2041911113, 0.0547128434, -0.2915477700, 0.0781199895, 0.5829343121, -0.1561967782, 0.0000000000, -0.0000000000, -0.6830125750, 0.1830126679, -0.0000000000, 0.0000000000 ] - [ -0.5908762975, 0.1702319221, 0.3262883024, -0.1162029262, -0.0437837683, 0.0015115620, 0.5332131910, -0.3240461004, -0.0000000000, 0.0000000000, -0.2728269624, 0.1903761553 ] - [ -0.2772383911, -0.0183806655, -0.5373952588, 0.0116837621, -0.3658834281, -0.0005949105, 0.3183467263, -0.0966074211, -0.0000000000, 0.0000000000, 0.5844422224, -0.2185165234 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.21139411518708, 0.00000000000000 ] - [ -0.61480171099445, 0.01150136662227 ] - [ -0.26303435798485, -0.08950890189915 ] - # atom 2 - [ -0.20419111125757, 0.05471284336285 ] - [ -0.59087629752611, 0.17023192207876 ] - [ -0.27723839111213, -0.01838066549450 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.30183234956638, 0.00000000000000 ] - [ 0.34524570019819, -0.02779377029821 ] - [ -0.52210774558930, -0.12780243264302 ] - # atom 2 - [ -0.29154776998830, 0.07811998952313 ] - [ 0.32628830238976, -0.11620292617006 ] - [ -0.53739525883262, 0.01168376214245 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.60349778378285, 0.00000000000000 ] - [ -0.04268307777570, -0.00987201267669 ] - [ -0.35326214723059, -0.09527220345844 ] - # atom 2 - [ 0.58293431206941, -0.15619677815874 ] - [ -0.04378376833233, 0.00151156199169 ] - [ -0.36588342813827, -0.00059491045233 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.59891391693446, 0.17499883342351 ] - [ -0.33250328865211, 0.01092141139479 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.53321319100055, -0.32404610044503 ] - [ 0.31834672627639, -0.09660742109067 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.68301257499636, 0.18301266788981 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.31280370008945, -0.11327647329290 ] - [ -0.62108430525625, 0.05980599770706 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.27282696244877, 0.19037615528647 ] - [ 0.58444222236654, -0.21851652337039 ] - q-position: [ 0.1666667, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.1276776476, -0.0000000000, -0.0411097124, 0.0000000000, -0.6942681005, 0.0000000000, -0.1159523612, 0.0000000000, 0.1974161091, 0.0000000000, -0.6690158028, 0.0000000000 ] - [ 0.6405642506, 0.1007516123, -0.2001194073, -0.1480678707, 0.1296510496, 0.0272960207, 0.5148927586, -0.0525064276, -0.4267119772, 0.0556910109, -0.2151561275, 0.0255338467 ] - [ 0.1377506129, -0.2103557128, 0.5717142912, -0.3308786405, -0.0085202473, -0.0190926197, 0.4663430573, -0.0347554252, 0.5225874087, -0.0523917401, 0.0733818156, -0.0094362492 ] - [ 0.0638388512, -0.1105721337, -0.0205548650, 0.0356020706, -0.3471341992, 0.6012540700, 0.0579761557, -0.1004176474, -0.0987080122, 0.1709672922, 0.3345077579, -0.5793844321 ] - [ 0.4075357559, -0.5043693240, -0.2282903391, 0.0992745978, 0.0884646101, -0.0986331345, -0.2119743882, 0.4721632204, 0.1651260876, -0.3973887473, 0.0854650672, -0.1990975101 ] - [ -0.1132981333, -0.2244734828, -0.0006921629, -0.6605587035, -0.0207948262, -0.0021675602, -0.2030723604, 0.4212424664, -0.2159210338, 0.4787696363, -0.0285188640, 0.0682686118 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.12767764757268, -0.00000000000000 ] - [ 0.64056425060483, 0.10075161232141 ] - [ 0.13775061287938, -0.21035571276546 ] - # atom 2 - [ 0.06383885117701, -0.11057213373555 ] - [ 0.40753575590224, -0.50436932402440 ] - [ -0.11329813325825, -0.22447348283580 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.04110971244023, 0.00000000000000 ] - [ -0.20011940731286, -0.14806787072711 ] - [ 0.57171429119678, -0.33087864048503 ] - # atom 2 - [ -0.02055486503938, 0.03560207059097 ] - [ -0.22829033914070, 0.09927459775460 ] - [ -0.00069216292863, -0.66055870354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69426810046485, 0.00000000000000 ] - [ 0.12965104959374, 0.02729602069416 ] - [ -0.00852024729492, -0.01909261967753 ] - # atom 2 - [ -0.34713419917370, 0.60125407001430 ] - [ 0.08846461009686, -0.09863313454805 ] - [ -0.02079482623523, -0.00216756016484 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.11595236123093, 0.00000000000000 ] - [ 0.51489275856898, -0.05250642759314 ] - [ 0.46634305732120, -0.03475542516253 ] - # atom 2 - [ 0.05797615574012, -0.10041764736954 ] - [ -0.21197438817673, 0.47216322035538 ] - [ -0.20307236041992, 0.42124246636144 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.19741610907686, 0.00000000000000 ] - [ -0.42671197724970, 0.05569101088029 ] - [ 0.52258740872229, -0.05239174010253 ] - # atom 2 - [ -0.09870801218661, 0.17096729222154 ] - [ 0.16512608759076, -0.39738874733366 ] - [ -0.21592103384040, 0.47876963628152 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.66901580275225, 0.00000000000000 ] - [ -0.21515612753802, 0.02553384668568 ] - [ 0.07338181555727, -0.00943624924801 ] - # atom 2 - [ 0.33450775785168, -0.57938443212576 ] - [ 0.08546506721307, -0.19909751014577 ] - [ -0.02851886397706, 0.06826861178106 ] - q-position: [ 0.1666667, 0.1666667, 0.8333333 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066819, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071068805, 0.0000000000 ] - [ 0.6422815422, -0.1404436606, -0.1682575991, 0.1985931485, 0.0000000000, 0.0000000000, 0.2732572101, 0.1357655992, -0.6340248645, -0.0700771782, 0.0000000000, 0.0000000000 ] - [ 0.1708911452, -0.1963315429, 0.0417886650, -0.6561278144, 0.0000000000, 0.0000000000, -0.5989853680, -0.2193510169, -0.3051258770, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, -0.0506376448, 0.7052914074, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0506376305, -0.7052912093 ] - [ -0.0940877581, -0.6506902012, 0.1860339833, 0.1820473932, -0.0000000000, 0.0000000000, -0.1549855959, 0.2628330526, 0.1153012888, -0.6273784535, 0.0000000000, -0.0000000000 ] - [ -0.1835895890, -0.1845122194, -0.6514508233, -0.0886683086, -0.0000000000, 0.0000000000, 0.2616825672, -0.5817390696, 0.0218508006, -0.3043423911, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.64228154224420, -0.14044366057005 ] - [ 0.17089114521295, -0.19633154291364 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09408775811972, -0.65069020117104 ] - [ -0.18358958901618, -0.18451221943252 ] - # 2 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.16825759906576, 0.19859314845097 ] - [ 0.04178866496110, -0.65612781436445 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.18603398329362, 0.18204739321109 ] - [ -0.65145082329438, -0.08866830864002 ] - # 3 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.70710668187830, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063764476731, 0.70529140741645 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.27325721010406, 0.13576559917513 ] - [ -0.59898536795846, -0.21935101691464 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.15498559594970, 0.26283305260063 ] - [ 0.26168256716367, -0.58173906960795 ] - # 5 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.63402486445030, -0.07007717822940 ] - [ -0.30512587696431, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.11530128877133, -0.62737845346598 ] - [ 0.02185080056963, -0.30434239107576 ] - # 6 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.70710688049478, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.05063763054390, -0.70529120930992 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.1666667, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.2035817940, 0.0000000000, -0.6220914468, 0.0000000000, -0.2675005504, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000 ] - [ -0.6764871909, 0.0193668178, -0.1945243669, 0.0111381105, -0.0624616698, -0.0111633106, -0.0305735240, -0.0864364729, -0.7009923291, 0.0142790337, -0.0000000000, 0.0000000000 ] - [ -0.0227328904, -0.0052474169, 0.2519238607, -0.1075763584, -0.6031676621, 0.2461828725, -0.6962055327, -0.0830180249, 0.0389103041, -0.0830180249, 0.0000000000, -0.0000000000 ] - [ 0.2030591616, -0.0145789919, -0.6204944223, 0.0445494952, -0.2668138267, 0.0191563709, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, -0.7052912093, 0.0506376305 ] - [ -0.6733636170, 0.0677620075, -0.1932273592, 0.0250398841, -0.0631007512, -0.0066616189, 0.0366849434, 0.0840250821, 0.6981698024, -0.0644421215, -0.0000000000, 0.0000000000 ] - [ -0.0230503112, -0.0036059877, 0.2435733183, -0.1253410758, -0.5839894588, 0.2887451918, 0.7003629746, 0.0329478969, -0.0328652711, 0.0855913164, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.20358179395541, 0.00000000000000 ] - [ -0.67648719086580, 0.01936681781388 ] - [ -0.02273289038828, -0.00524741686023 ] - # atom 2 - [ 0.20305916159890, -0.01457899186564 ] - [ -0.67336361698560, 0.06776200746119 ] - [ -0.02305031122632, -0.00360598769606 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.62209144684921, 0.00000000000000 ] - [ -0.19452436689158, 0.01113811045334 ] - [ 0.25192386073676, -0.10757635839924 ] - # atom 2 - [ -0.62049442231910, 0.04454949515420 ] - [ -0.19322735921307, 0.02503988413694 ] - [ 0.24357331827417, -0.12534107576655 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.26750055043662, 0.00000000000000 ] - [ -0.06246166981725, -0.01116331061172 ] - [ -0.60316766214220, 0.24618287251307 ] - # atom 2 - [ -0.26681382673542, 0.01915637087727 ] - [ -0.06310075115348, -0.00666161885576 ] - [ -0.58398945884314, 0.28874519175019 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03057352404293, -0.08643647286553 ] - [ -0.69620553271157, -0.08301802485615 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.03668494344924, 0.08402508206306 ] - [ 0.70036297457465, 0.03294789690280 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70099232907866, 0.01427903365406 ] - [ 0.03891030407001, -0.08301802485615 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69816980244454, -0.06444212147279 ] - [ -0.03286527112395, 0.08559131641427 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529120930997, 0.05063763054311 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.3333333, 0.1666667 ] dynamical_matrix: - [ -0.3226516303, 0.0000000000, 0.6292025124, 0.0000000000, -0.0000000000, 0.0000000000, 0.0303219849, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064564396, 0.0000000000 ] - [ 0.6287834482, 0.0000000000, 0.3224367364, 0.0000000000, -0.0258031475, 0.0000000000, 0.5224825977, 0.0000000000, -0.4759297757, -0.0000000000, -0.0224255999, -0.0000000000 ] - [ 0.0229603331, 0.0000000000, 0.0117739341, 0.0000000000, 0.7066357433, -0.0000000000, -0.4754919938, 0.0000000000, -0.5229636435, -0.0000000000, 0.0204087050, -0.0000000000 ] - [ -0.3226517102, -0.0000000000, 0.6292026683, 0.0000000000, 0.0000000000, -0.0000000000, -0.0303219774, -0.0000000000, -0.0000000000, 0.0000000000, -0.7064562646, -0.0000000000 ] - [ 0.6287836040, 0.0000000000, 0.3224368163, 0.0000000000, -0.0258031539, 0.0000000000, -0.5224824683, -0.0000000000, 0.4759296578, 0.0000000000, 0.0224255943, 0.0000000000 ] - [ 0.0229603388, 0.0000000000, 0.0117739370, 0.0000000000, 0.7066359184, -0.0000000000, 0.4754918760, 0.0000000000, 0.5229635140, 0.0000000000, -0.0204087000, -0.0000000000 ] band: - # 1 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.32265163025033, 0.00000000000000 ] - [ 0.62878344820757, 0.00000000000007 ] - [ 0.02296033313940, 0.00000000000000 ] - # atom 2 - [ -0.32265171017704, -0.00000000000017 ] - [ 0.62878360396873, 0.00000000000040 ] - [ 0.02296033882709, 0.00000000000001 ] - # 2 frequency: 455.6935390447 eigenvector: - # atom 1 - [ 0.62920251242161, 0.00000000000000 ] - [ 0.32243673639792, 0.00000000000004 ] - [ 0.01177393410272, 0.00000000000000 ] - # atom 2 - [ 0.62920266828659, 0.00000000000033 ] - [ 0.32243681627140, 0.00000000000021 ] - [ 0.01177393701934, 0.00000000000001 ] - # 3 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.02580314752365, 0.00000000000031 ] - [ 0.70663574330679, -0.00000000000845 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02580315391556, 0.00000000000029 ] - [ 0.70663591835339, -0.00000000000808 ] - # 4 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.03032198494278, 0.00000000000000 ] - [ 0.52248259771772, 0.00000000000030 ] - [ -0.47549199380263, 0.00000000000000 ] - # atom 2 - [ -0.03032197743147, -0.00000000000002 ] - [ -0.52248246828926, -0.00000000000058 ] - [ 0.47549187601460, 0.00000000000025 ] - # 5 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.47592977571325, -0.00000000000070 ] - [ -0.52296364352474, -0.00000000000047 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.47592965781676, 0.00000000000095 ] - [ 0.52296351397711, 0.00000000000074 ] - # 6 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.70645643962545, 0.00000000000000 ] - [ -0.02242559989864, -0.00000000000001 ] - [ 0.02040870500683, -0.00000000000000 ] - # atom 2 - [ -0.70645626462331, -0.00000000000037 ] - [ 0.02242559434341, 0.00000000000002 ] - [ -0.02040869995123, -0.00000000000001 ] - q-position: [ 0.1666667, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.5220424820, 0.0000000000, -0.3875333060, 0.0000000000, 0.2780097899, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.3323637109, -0.0066786302, -0.0000896778, 0.0006581190, 0.6239824268, -0.0116236398, 0.6667279805, -0.0322276620, -0.0000000000, 0.0000000000, 0.2331617868, -0.0084201804 ] - [ 0.3419276870, 0.0068354244, -0.5913223559, -0.0124589946, -0.1822105945, -0.0045318312, -0.2333072955, 0.0017390009, 0.0000000000, -0.0000000000, 0.6674988954, 0.0031696746 ] - [ -0.5207023018, -0.0373847433, -0.3865384358, -0.0277522111, 0.2772960871, 0.0199089633, 0.0000000000, -0.0000000000, -0.7052912093, -0.0506376305, 0.0000000000, 0.0000000000 ] - [ 0.3319887444, 0.0171398961, -0.0001365771, 0.0006500074, 0.6232129452, 0.0330911132, -0.6673238928, -0.0156010905, -0.0000000000, -0.0000000000, -0.2331660759, -0.0082987189 ] - [ 0.3405603934, 0.0313041574, -0.5889121022, -0.0547730551, -0.1814182905, -0.0175687450, 0.2328327556, 0.0149731630, -0.0000000000, -0.0000000000, -0.6655579394, -0.0509627428 ] band: - # 1 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.52204248200305, 0.00000000000000 ] - [ 0.33236371085550, -0.00667863015714 ] - [ 0.34192768697395, 0.00683542443935 ] - # atom 2 - [ -0.52070230178717, -0.03738474325646 ] - [ 0.33198874444418, 0.01713989610225 ] - [ 0.34056039344198, 0.03130415740565 ] - # 2 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.38753330596970, 0.00000000000000 ] - [ -0.00008967778651, 0.00065811895835 ] - [ -0.59132235592032, -0.01245899463512 ] - # atom 2 - [ -0.38653843584406, -0.02775221106799 ] - [ -0.00013657708060, 0.00065000739813 ] - [ -0.58891210219259, -0.05477305512118 ] - # 3 frequency: 530.3005566342 eigenvector: - # atom 1 - [ 0.27800978994495, 0.00000000000000 ] - [ 0.62398242683476, -0.01162363975959 ] - [ -0.18221059452682, -0.00453183120059 ] - # atom 2 - [ 0.27729608706990, 0.01990896330888 ] - [ 0.62321294517525, 0.03309111315906 ] - [ -0.18141829046329, -0.01756874497504 ] - # 4 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66672798049699, -0.03222766200071 ] - [ -0.23330729552077, 0.00173900092439 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.66732389275719, -0.01560109051130 ] - [ 0.23283275559389, 0.01497316298399 ] - # 5 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529120930994, -0.05063763054359 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.23316178681377, -0.00842018035675 ] - [ 0.66749889538362, 0.00316967463228 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23316607590270, -0.00829871889669 ] - [ -0.66555793941064, -0.05096274283456 ] - q-position: [ 0.1666667, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.5483717984, 0.0000000000, -0.3828184086, 0.0000000000, 0.2296480398, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450567072, 0.0000000000, -0.4404400473, -0.0000000000, 0.3285374828, 0.0000000000, 0.7013257533, -0.0000000000, -0.0000000000, -0.0000000000, -0.0902352606, -0.0000000000 ] - [ 0.0348236062, -0.0000000000, -0.3993274549, -0.0000000000, -0.5825158244, -0.0000000000, 0.0902352606, -0.0000000000, 0.0000000000, 0.0000000000, 0.7013257533, -0.0000000000 ] - [ -0.5483720337, -0.0000000000, -0.3828185729, -0.0000000000, 0.2296481383, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066295, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450568981, 0.0000000000, -0.4404402363, -0.0000000000, 0.3285376237, 0.0000000000, -0.7013254524, -0.0000000000, -0.0000000000, -0.0000000000, 0.0902352219, 0.0000000000 ] - [ 0.0348236212, 0.0000000000, -0.3993276262, -0.0000000000, -0.5825160744, -0.0000000000, -0.0902352219, 0.0000000000, -0.0000000000, -0.0000000000, -0.7013254524, -0.0000000000 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.54837179843291, 0.00000000000000 ] - [ 0.44505670717734, 0.00000000000000 ] - [ 0.03482360621193, -0.00000000000000 ] - # atom 2 - [ -0.54837203371771, -0.00000000000000 ] - [ 0.44505689813369, 0.00000000000000 ] - [ 0.03482362115337, 0.00000000000000 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.38281840861924, 0.00000000000000 ] - [ -0.44044004732164, -0.00000000000000 ] - [ -0.39932745486285, -0.00000000000000 ] - # atom 2 - [ -0.38281857287157, -0.00000000000000 ] - [ -0.44044023629716, -0.00000000000000 ] - [ -0.39932762619857, -0.00000000000000 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.22964803978127, 0.00000000000000 ] - [ 0.32853748276485, 0.00000000000000 ] - [ -0.58251582443127, -0.00000000000000 ] - # atom 2 - [ 0.22964813831422, 0.00000000000000 ] - [ 0.32853762372738, 0.00000000000000 ] - [ -0.58251607436593, -0.00000000000000 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70132575332383, -0.00000000000000 ] - [ 0.09023526059736, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70132545241263, -0.00000000000000 ] - [ -0.09023522188097, 0.00000000000000 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710662949069, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09023526059736, -0.00000000000000 ] - [ 0.70132575332383, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09023522188097, 0.00000000000000 ] - [ -0.70132545241263, -0.00000000000000 ] - q-position: [ 0.1666667, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.6682917038, 0.0000000000, -0.2049982437, 0.0000000000, -0.1065905584, 0.0000000000, 0.1816756629, 0.0000000000, 0.6833698304, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1912168382, 0.0121298316, -0.3119437657, 0.0669417426, -0.5989339345, -0.0526939151, -0.2033019468, 0.0391274504, 0.0540483561, -0.0104021354, -0.6699529255, 0.0726042770 ] - [ -0.1144944021, -0.0597147127, -0.4932420832, -0.3360022114, 0.2307718628, 0.2718159710, -0.6511951282, 0.0087516352, 0.1731219339, -0.0023266452, 0.2137183338, 0.0147153652 ] - [ 0.4725539467, -0.4725539467, -0.1449557560, 0.1449557560, -0.0753709627, 0.0753709627, -0.1284639978, 0.1284639978, -0.4832150820, 0.4832150820, 0.0000000000, 0.0000000000 ] - [ -0.1266337309, 0.1437879160, -0.1732427207, 0.2679127113, -0.4607708136, 0.3862503089, 0.1160888134, -0.1714233433, -0.0308625157, 0.0455733457, 0.4223889662, -0.5250668431 ] - [ -0.1231845380, 0.0387351186, -0.5863646997, 0.1111854623, 0.3553835295, 0.0290225888, 0.4542758128, -0.4666524848, -0.1207704171, 0.1240607878, -0.1615268976, 0.1407162440 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.66829170379209, 0.00000000000000 ] - [ -0.19121683822778, 0.01212983159866 ] - [ -0.11449440211560, -0.05971471270147 ] - # atom 2 - [ 0.47255394674196, -0.47255394674344 ] - [ -0.12663373091806, 0.14378791602281 ] - [ -0.12318453797674, 0.03873511864239 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.20499824372004, 0.00000000000000 ] - [ -0.31194376566688, 0.06694174255842 ] - [ -0.49324208317218, -0.33600221137231 ] - # atom 2 - [ -0.14495575599007, 0.14495575599053 ] - [ -0.17324272069011, 0.26791271126024 ] - [ -0.58636469969206, 0.11118546225149 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10659055838567, 0.00000000000000 ] - [ -0.59893393447536, -0.05269391506455 ] - [ 0.23077186279125, 0.27181597097765 ] - # atom 2 - [ -0.07537096265712, 0.07537096265735 ] - [ -0.46077081364298, 0.38625030892524 ] - [ 0.35538352950477, 0.02902258879407 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.18167566294301, 0.00000000000000 ] - [ -0.20330194681128, 0.03912745040786 ] - [ -0.65119512820658, 0.00875163521613 ] - # atom 2 - [ -0.12846399777469, 0.12846399777509 ] - [ 0.11608881343249, -0.17142334333868 ] - [ 0.45427581282461, -0.46665248484386 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.68336983037856, 0.00000000000000 ] - [ 0.05404835613548, -0.01040213538280 ] - [ 0.17312193392654, -0.00232664519129 ] - # atom 2 - [ -0.48321508201448, 0.48321508201600 ] - [ -0.03086251573168, 0.04557334573537 ] - [ -0.12077041710806, 0.12406078784755 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.66995292548849, 0.07260427695843 ] - [ 0.21371833379847, 0.01471536518580 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.42238896620690, -0.52506684306371 ] - [ -0.16152689756355, 0.14071624400854 ] - q-position: [ 0.1666667, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.1444747524, -0.0000000000, 0.5063614213, 0.0000000000, 0.4719374348, 0.0000000000, -0.0709946271, 0.0000000000, 0.7018022232, 0.0000000000, -0.0493317029, 0.0000000000 ] - [ -0.6545430054, -0.0048523243, -0.0566574156, 0.0085404462, 0.2611661187, -0.0076779544, -0.5483558326, -0.0786992010, -0.0386737299, -0.0336327818, 0.2389742812, -0.3652081635 ] - [ 0.2168214235, 0.0605409839, -0.4784982681, -0.1065565669, 0.4470250209, 0.0957955179, 0.4172792079, -0.1181116282, 0.0479500133, -0.0504760222, 0.0816279173, -0.5481037958 ] - [ 0.0000000000, -0.1444748144, 0.0000000000, -0.5063616386, 0.0000000000, -0.4719376373, 0.0000000000, -0.0709945966, -0.0000000000, 0.7018019221, 0.0000000000, -0.0493316818 ] - [ -0.0048523263, 0.6545432862, 0.0085404498, 0.0566574399, -0.0076779577, -0.2611662308, 0.0786991673, -0.5483555973, 0.0336327674, -0.0386737133, 0.3652080068, 0.2389741787 ] - [ 0.0605410099, -0.2168215165, -0.1065566126, 0.4784984734, 0.0957955590, -0.4470252127, 0.1181115775, 0.4172790289, 0.0504760006, 0.0479499927, 0.5481035606, 0.0816278823 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.14447475241057, -0.00000000000000 ] - [ -0.65454300539851, -0.00485232425471 ] - [ 0.21682142348357, 0.06054098394784 ] - # atom 2 - [ 0.00000000000023, -0.14447481439901 ] - [ -0.00485232633768, 0.65454328623719 ] - [ 0.06054100992394, -0.21682151651303 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.50636142134040, 0.00000000000000 ] - [ -0.05665741555853, 0.00854044616210 ] - [ -0.47849826806457, -0.10655656689575 ] - # atom 2 - [ 0.00000000000080, -0.50636163860019 ] - [ 0.00854044982638, 0.05665743986801 ] - [ -0.10655661261574, 0.47849847336921 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.47193743479801, 0.00000000000000 ] - [ 0.26116611870695, -0.00767795441732 ] - [ 0.44702502089349, 0.09579551793615 ] - # atom 2 - [ 0.00000000000074, -0.47193763728782 ] - [ -0.00767795771122, -0.26116623076309 ] - [ 0.09579555903894, -0.44702521269421 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.07099462707993, 0.00000000000000 ] - [ -0.54835583257541, -0.07869920104006 ] - [ 0.41727920794087, -0.11811162818501 ] - # atom 2 - [ 0.00000000000011, -0.07099459661893 ] - [ 0.07869916727420, -0.54835559729745 ] - [ 0.11811157750732, 0.41727902890302 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70180222323859, 0.00000000000000 ] - [ -0.03867372985306, -0.03363278182169 ] - [ 0.04795001327964, -0.05047602223191 ] - # atom 2 - [ -0.00000000000110, 0.70180192212295 ] - [ 0.03363276739125, -0.03867371325963 ] - [ 0.05047600057456, 0.04794999270626 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.04933170292488, 0.00000000000000 ] - [ 0.23897428124350, -0.36520816348602 ] - [ 0.08162791732802, -0.54810379578767 ] - # atom 2 - [ 0.00000000000008, -0.04933168175859 ] - [ 0.36520800678924, 0.23897417870965 ] - [ 0.54810356061784, 0.08162788230557 ] - q-position: [ 0.1666667, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0281941368, 0.0000000000, -0.7063556115, 0.0000000000, -0.0163286948, 0.0000000000, 0.2703430583, 0.0000000000, -0.6528741663, 0.0000000000, -0.0258876096, 0.0000000000 ] - [ 0.6933371170, 0.0587652408, 0.0293009336, 0.0046572622, -0.0703569596, -0.0999986875, -0.6433265095, -0.1118945200, -0.2651497342, -0.0457212719, -0.0312676399, -0.0154386386 ] - [ -0.1136833703, 0.0459484062, 0.0097024264, 0.0093361527, -0.6160056247, -0.3245310313, 0.0200858054, -0.0110464623, 0.0361790867, -0.0071968721, -0.7026656123, 0.0661442861 ] - [ 0.0244168492, -0.0140970745, -0.6117221661, 0.3531779573, -0.0141410706, 0.0081643509, -0.2341238558, 0.1351714712, 0.5654053709, -0.3264369431, 0.0224193179, -0.0129437992 ] - [ 0.6298304474, -0.2957764940, 0.0277039958, -0.0106171640, -0.1109303057, -0.0514229460, 0.6130840971, -0.2247596614, 0.2524869332, -0.0929790442, 0.0347978748, -0.0022635657 ] - [ -0.0754785160, 0.0966342136, 0.0130706297, 0.0032341335, -0.6957423340, 0.0269507064, -0.0118715815, 0.0196094113, -0.0277335603, 0.0243222070, 0.5754538807, -0.4086152629 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.02819413680430, 0.00000000000000 ] - [ 0.69333711704508, 0.05876524082728 ] - [ -0.11368337033036, 0.04594840615311 ] - # atom 2 - [ 0.02441684918661, -0.01409707445064 ] - [ 0.62983044739688, -0.29577649401229 ] - [ -0.07547851600227, 0.09663421361907 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70635561146258, 0.00000000000000 ] - [ 0.02930093357435, 0.00465726220353 ] - [ 0.00970242644418, 0.00933615266286 ] - # atom 2 - [ -0.61172216609831, 0.35317795726569 ] - [ 0.02770399581845, -0.01061716396222 ] - [ 0.01307062971853, 0.00323413354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.01632869483059, 0.00000000000000 ] - [ -0.07035695956029, -0.09999868753984 ] - [ -0.61600562466724, -0.32453103134352 ] - # atom 2 - [ -0.01414107060131, 0.00816435091829 ] - [ -0.11093030567796, -0.05142294603808 ] - [ -0.69574233402328, 0.02695070643689 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.27034305834512, 0.00000000000000 ] - [ -0.64332650949096, -0.11189452002307 ] - [ 0.02008580543744, -0.01104646232193 ] - # atom 2 - [ -0.23412385581038, 0.13517147117567 ] - [ 0.61308409710849, -0.22475966142538 ] - [ -0.01187158150972, 0.01960941129782 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65287416628804, 0.00000000000000 ] - [ -0.26514973416944, -0.04572127194989 ] - [ 0.03617908674079, -0.00719687208205 ] - # atom 2 - [ 0.56540537088697, -0.32643694308246 ] - [ 0.25248693324020, -0.09297904418900 ] - [ -0.02773356026285, 0.02432220698552 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.02588760955768, 0.00000000000000 ] - [ -0.03126763987628, -0.01543863863882 ] - [ -0.70266561233246, 0.06614428607750 ] - # atom 2 - [ 0.02241931790096, -0.01294379922515 ] - [ 0.03479787483825, -0.00226356570585 ] - [ 0.57545388070246, -0.40861526290347 ] - q-position: [ 0.1666667, 0.5000000, 0.1666667 ] dynamical_matrix: - [ -0.0228596700, 0.0000000000, 0.1946153954, 0.0000000000, -0.6794130537, 0.0000000000, 0.7071069126, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0825990436, -0.0337131017, 0.6708839892, 0.0746863146, 0.1893931317, 0.0225279408, 0.0000000000, -0.0000000000, -0.6964216806, 0.1196142968, 0.0081536545, -0.0249592954 ] - [ 0.6027162337, -0.3581217895, -0.0803821469, 0.0000000000, -0.0433042865, 0.0120494387, 0.0000000000, 0.0000000000, -0.0145257947, -0.0218734953, -0.7030631923, 0.0708017293 ] - [ -0.0220807538, 0.0059165202, 0.1879841064, -0.0503701895, -0.6562628592, 0.1758451031, -0.6830125750, 0.1830126679, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0710589830, -0.0539425812, 0.6673546602, -0.1014961510, 0.1887704474, -0.0272582398, -0.0000000000, 0.0000000000, 0.6417329908, -0.2957856230, -0.0014158839, 0.0262191394 ] - [ 0.4894906183, -0.5019137120, -0.0776432205, 0.0208044382, -0.0387101189, 0.0228468466, -0.0000000000, 0.0000000000, 0.0196921101, 0.0173686153, 0.6607818135, -0.2503552699 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.02285966999830, 0.00000000000000 ] - [ 0.08259904358386, -0.03371310166587 ] - [ 0.60271623369737, -0.35812178949573 ] - # atom 2 - [ -0.02208075383652, 0.00591652015874 ] - [ 0.07105898304779, -0.05394258121389 ] - [ 0.48949061834842, -0.50191371200337 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.19461539537970, 0.00000000000000 ] - [ 0.67088398920006, 0.07468631459965 ] - [ -0.08038214689247, 0.00000000000000 ] - # atom 2 - [ 0.18798410644139, -0.05037018951065 ] - [ 0.66735466021305, -0.10149615103015 ] - [ -0.07764322050648, 0.02080443823238 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.67941305373099, 0.00000000000000 ] - [ 0.18939313165526, 0.02252794075697 ] - [ -0.04330428646067, 0.01204943867669 ] - # atom 2 - [ -0.65626285916927, 0.17584510313621 ] - [ 0.18877044744527, -0.02725823982207 ] - [ -0.03871011885289, 0.02284684657003 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301257499636, 0.18301266788981 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69642168064199, 0.11961429684760 ] - [ -0.01452579472687, -0.02187349532416 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.64173299077582, -0.29578562298301 ] - [ 0.01969211012975, 0.01736861527050 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00815365446116, -0.02495929544421 ] - [ -0.70306319233075, 0.07080172927442 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00141588388329, 0.02621913939483 ] - [ 0.66078181349173, -0.25035526991079 ] - q-position: [ 0.1666667, 0.5000000, 0.3333333 ] dynamical_matrix: - [ -0.4501028533, 0.0000000000, -0.0544827890, 0.0000000000, 0.5426221822, 0.0000000000, -0.0043529521, 0.0000000000, 0.6702554106, 0.0000000000, -0.2252530819, 0.0000000000 ] - [ 0.5449898717, 0.0000000000, -0.0193537007, -0.0000000000, 0.4501236047, 0.0000000000, -0.7012774542, 0.0000000000, 0.0247398374, 0.0000000000, 0.0871670072, 0.0000000000 ] - [ 0.0198304492, 0.0000000000, -0.7047388491, 0.0000000000, -0.0543110791, 0.0000000000, -0.0905052402, 0.0000000000, -0.2239326675, 0.0000000000, -0.6645774420, 0.0000000000 ] - [ -0.4501030464, -0.0000000000, -0.0544828124, -0.0000000000, 0.5426224151, 0.0000000000, 0.0043529502, 0.0000000000, -0.6702551230, -0.0000000000, 0.2252529853, 0.0000000000 ] - [ 0.5449901055, 0.0000000000, -0.0193537090, -0.0000000000, 0.4501237978, 0.0000000000, 0.7012771534, 0.0000000000, -0.0247398268, -0.0000000000, -0.0871669698, -0.0000000000 ] - [ 0.0198304577, 0.0000000000, -0.7047391515, 0.0000000000, -0.0543111024, 0.0000000000, 0.0905052013, -0.0000000000, 0.2239325714, 0.0000000000, 0.6645771569, 0.0000000000 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.45010285325818, 0.00000000000000 ] - [ 0.54498987168933, 0.00000000000000 ] - [ 0.01983044917762, 0.00000000000000 ] - # atom 2 - [ -0.45010304637963, -0.00000000000000 ] - [ 0.54499010552307, 0.00000000000000 ] - [ 0.01983045768609, 0.00000000000000 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.05448278898313, 0.00000000000000 ] - [ -0.01935370066843, -0.00000000000000 ] - [ -0.70473884910990, 0.00000000000000 ] - # atom 2 - [ -0.05448281235956, -0.00000000000000 ] - [ -0.01935370897234, -0.00000000000000 ] - [ -0.70473915148565, 0.00000000000000 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.54262218224392, 0.00000000000000 ] - [ 0.45012360468673, 0.00000000000000 ] - [ -0.05431107907561, 0.00000000000000 ] - # atom 2 - [ 0.54262241506178, 0.00000000000000 ] - [ 0.45012379781709, 0.00000000000000 ] - [ -0.05431110237836, 0.00000000000000 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00435295207986, 0.00000000000000 ] - [ -0.70127745424909, 0.00000000000000 ] - [ -0.09050524018211, 0.00000000000000 ] - # atom 2 - [ 0.00435295021218, 0.00000000000000 ] - [ 0.70127715335861, 0.00000000000000 ] - [ 0.09050520134989, -0.00000000000000 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.67025541058906, 0.00000000000000 ] - [ 0.02473983736952, 0.00000000000000 ] - [ -0.22393266745460, 0.00000000000000 ] - # atom 2 - [ -0.67025512300892, -0.00000000000000 ] - [ -0.02473982675464, -0.00000000000000 ] - [ 0.22393257137393, 0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.22525308192030, 0.00000000000000 ] - [ 0.08716700717107, 0.00000000000000 ] - [ -0.66457744204611, 0.00000000000000 ] - # atom 2 - [ 0.22525298527309, 0.00000000000000 ] - [ -0.08716696977115, -0.00000000000000 ] - [ 0.66457715690217, 0.00000000000000 ] - q-position: [ 0.1666667, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0813307556, 0.0000000000, 0.3879437452, 0.0000000000, 0.5855634783, -0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000 ] - [ -0.0531980041, 0.0294909708, -0.5827703452, 0.0338616724, 0.3934820950, -0.0265299110, -0.5900274003, -0.0115976448, -0.3894794622, 0.0062675085, -0.0000000000, 0.0000000000 ] - [ -0.6752847075, -0.1835095515, 0.0818746052, 0.0450326530, 0.0395493835, -0.0043465238, -0.3891180284, -0.0179079070, 0.5901104004, 0.0060459700, 0.0000000000, 0.0000000000 ] - [ 0.0785595357, 0.0210499641, 0.3747251611, 0.1004073043, 0.5656113070, 0.1515550929, -0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6830124481, -0.1830126339 ] - [ -0.0590181949, 0.0147174447, -0.5716773978, -0.1181242881, 0.3869412515, 0.0762147905, 0.5669205915, 0.1639126712, 0.3778301412, 0.0947506838, -0.0000000000, -0.0000000000 ] - [ -0.6047796216, -0.3520334199, 0.0674295375, 0.0646889578, 0.0393267633, 0.0060377186, 0.3712239698, 0.1180087787, -0.5684376415, -0.1585716511, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.08133075561070, 0.00000000000000 ] - [ -0.05319800413197, 0.02949097082871 ] - [ -0.67528470745086, -0.18350955150442 ] - # atom 2 - [ 0.07855953569784, 0.02104996414804 ] - [ -0.05901819486678, 0.01471744467229 ] - [ -0.60477962158181, -0.35203341993915 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.38794374522080, 0.00000000000000 ] - [ -0.58277034524304, 0.03386167244074 ] - [ 0.08187460516853, 0.04503265304179 ] - # atom 2 - [ 0.37472516113472, 0.10040730430988 ] - [ -0.57167739783691, -0.11812428812292 ] - [ 0.06742953750133, 0.06468895780117 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.58556347833386, -0.00000000000000 ] - [ 0.39348209499990, -0.02652991100383 ] - [ 0.03954938345484, -0.00434652379596 ] - # atom 2 - [ 0.56561130699086, 0.15155509293843 ] - [ 0.38694125153250, 0.07621479052463 ] - [ 0.03932676325708, 0.00603771855805 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.59002740025537, -0.01159764482857 ] - [ -0.38911802840200, -0.01790790697592 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.56692059145489, 0.16391267117022 ] - [ 0.37122396984785, 0.11800877868738 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.38947946222726, 0.00626750850688 ] - [ 0.59011040040333, 0.00604597002170 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.37783014115498, 0.09475068375317 ] - [ -0.56843764148622, -0.15857165108336 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301244809999, -0.18301263388918 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.1666667, 0.5000000, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000006, -0.0000000000, 0.0000000002, 0.0000000000, 0.0000000001, -0.0000000001, 0.9318426799, 0.0403371449, 0.0000000000, 0.0000000000, 0.3597007893, -0.0256413123 ] - [ 0.0000000002, -0.0000000000, -0.0000000001, 0.0000000000, -0.0000000003, 0.0000000001, -0.3564811786, -0.0544362381, 0.0000000000, 0.0000000000, 0.9320731975, 0.0346037524 ] - [ -0.9378295208, -0.2679512845, 0.1859803736, 0.0531372482, -0.1020558485, -0.0291588131, 0.0000000004, 0.0000000002, 0.0000000000, 0.0000000000, 0.0000000003, 0.0000000001 ] - [ -0.1762819965, -0.0503662834, -0.9507369699, -0.1880313892, -0.1126437800, 0.1201777219, 0.0000000004, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1180201393, -0.0337200389, -0.0577873699, -0.1413922352, 0.9792231952, 0.0522014886, -0.0000000001, -0.0000000001, 0.0000000000, 0.0000000000, 0.0000000003, 0.0000000001 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000061915, -0.00000000004576 ] - [ 0.00000000017129, -0.00000000002621 ] - # atom 2 - [ -0.93782952076828, -0.26795128451625 ] - [ -0.17628199650360, -0.05036628336439 ] - [ -0.11802013932279, -0.03372003891789 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000024041, 0.00000000000156 ] - [ -0.00000000010663, 0.00000000001848 ] - # atom 2 - [ 0.18598037359551, 0.05313724818369 ] - [ -0.95073696986861, -0.18803138920352 ] - [ -0.05778736989643, -0.14139223519148 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000011017, -0.00000000007530 ] - [ -0.00000000029192, 0.00000000009778 ] - # atom 2 - [ -0.10205584850427, -0.02915881308358 ] - [ -0.11264377999369, 0.12017772188201 ] - [ 0.97922319518195, 0.05220148863068 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.93184267985683, 0.04033714487650 ] - [ -0.35648117863938, -0.05443623808033 ] - # atom 2 - [ 0.00000000043944, 0.00000000018489 ] - [ 0.00000000037016, 0.00000000009358 ] - [ -0.00000000011634, -0.00000000007184 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.35970078932566, -0.02564131234856 ] - [ 0.93207319754541, 0.03460375235462 ] - # atom 2 - [ 0.00000000033043, 0.00000000012285 ] - [ 0.00000000002455, 0.00000000001475 ] - [ 0.00000000026572, 0.00000000010046 ] - q-position: [ 0.1666667, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.0614392691, 0.0000000000, 0.4724955207, 0.0000000000, -0.5224680158, 0.0000000000, -0.0117916520, 0.0000000000, 0.1527402451, 0.0000000000, 0.6903127886, 0.0000000000 ] - [ 0.2150615255, -0.1062041544, 0.4800099279, 0.0289016566, 0.4593884344, 0.0136482951, -0.6961685784, 0.0174057336, 0.1001112741, 0.0607674657, -0.0340425363, -0.0131482357 ] - [ 0.1119517200, -0.6528099837, -0.1180789251, 0.1776517439, -0.0936201449, 0.0838931450, 0.0470440741, -0.1126700249, 0.5551797658, -0.3933589514, -0.1220368035, 0.0851109495 ] - [ -0.0434441561, -0.0434441561, -0.3341050351, -0.3341050351, 0.3694409515, 0.3694409515, -0.0083379509, -0.0083379509, 0.1080035828, 0.1080035828, 0.4881244912, 0.4881244912 ] - [ -0.2271693097, -0.0769738425, -0.3189819548, -0.3598550999, -0.3151861094, -0.3344877277, -0.5045728599, -0.4799574537, 0.0278202530, 0.1137583633, -0.0147744907, -0.0333688901 ] - [ -0.5407685886, 0.3824448302, 0.2091133168, -0.0421243755, 0.1255209443, 0.0068780327, 0.1129348385, -0.0464045204, 0.6707176607, 0.1144245102, -0.1464754720, -0.0261105023 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.06143926906416, 0.00000000000000 ] - [ 0.21506152550116, -0.10620415444700 ] - [ 0.11195171996780, -0.65280998373418 ] - # atom 2 - [ -0.04344415607213, -0.04344415607213 ] - [ -0.22716930967575, -0.07697384245799 ] - [ -0.54076858855407, 0.38244483018560 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.47249552071773, 0.00000000000000 ] - [ 0.48000992793961, 0.02890165655786 ] - [ -0.11807892507139, 0.17765174388643 ] - # atom 2 - [ -0.33410503507144, -0.33410503507144 ] - [ -0.31898195479626, -0.35985509985050 ] - [ 0.20911331682841, -0.04212437546343 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.52246801580685, 0.00000000000000 ] - [ 0.45938843435510, 0.01364829506951 ] - [ -0.09362014489358, 0.08389314497640 ] - # atom 2 - [ 0.36944095148181, 0.36944095148181 ] - [ -0.31518610936786, -0.33448772770251 ] - [ 0.12552094429925, 0.00687803271348 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ -0.01179165204855, 0.00000000000000 ] - [ -0.69616857839967, 0.01740573360742 ] - [ 0.04704407405092, -0.11267002486300 ] - # atom 2 - [ -0.00833795092853, -0.00833795092853 ] - [ -0.50457285992486, -0.47995745368726 ] - [ 0.11293483846503, -0.04640452035528 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.15274024509024, 0.00000000000000 ] - [ 0.10011127406195, 0.06076746570489 ] - [ 0.55517976582089, -0.39335895140155 ] - # atom 2 - [ 0.10800358279999, 0.10800358279999 ] - [ 0.02782025301222, 0.11375836329778 ] - [ 0.67071766071875, 0.11442451017789 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.69031278855975, 0.00000000000000 ] - [ -0.03404253632498, -0.01314823570032 ] - [ -0.12203680352530, 0.08511094954304 ] - # atom 2 - [ 0.48812449117820, 0.48812449117820 ] - [ -0.01477449068011, -0.03336889011026 ] - [ -0.14647547204820, -0.02611050234781 ] - q-position: [ 0.1666667, 0.6666667, 0.0000000 ] dynamical_matrix: - [ -0.0265041068, 0.0000000000, 0.0447167974, 0.0000000000, -0.7051934164, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5957567917, -0.0408513389, -0.3686140214, 0.0734556403, -0.0457650900, 0.0061932360, 0.6149351691, 0.1317704253, 0.0000000000, 0.0000000000, -0.3226667284, -0.0194335009 ] - [ 0.3122630710, 0.2125891209, 0.5324610150, 0.2705798624, 0.0220275703, 0.0091676694, -0.3081573394, -0.0976244474, 0.0000000000, -0.0000000000, -0.6212714177, -0.0976244474 ] - [ -0.0068597702, 0.0256010108, 0.0115735631, -0.0431931255, -0.1825175545, 0.6811647866, 0.0000000000, 0.0000000000, -0.1830126679, 0.6830125750, 0.0000000000, 0.0000000000 ] - [ 0.1147338833, -0.5860301936, -0.0244516380, 0.3750656612, -0.0058626725, 0.0458086268, -0.2864372837, 0.5598768577, -0.0000000000, 0.0000000000, 0.1022835769, -0.3066422522 ] - [ 0.2861650584, -0.2466009432, 0.3991712769, -0.4442867893, 0.0145564488, -0.0189042386, 0.1740548987, -0.2723899653, -0.0000000000, 0.0000000000, 0.2550947553, -0.5748348277 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.02650410682869, 0.00000000000000 ] - [ 0.59575679167841, -0.04085133893307 ] - [ 0.31226307098589, 0.21258912085852 ] - # atom 2 - [ -0.00685977016961, 0.02560101080132 ] - [ 0.11473388325350, -0.58603019355876 ] - [ 0.28616505841087, -0.24660094323344 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.04471679741350, 0.00000000000000 ] - [ -0.36861402137964, 0.07345564032562 ] - [ 0.53246101496664, 0.27057986238403 ] - # atom 2 - [ 0.01157356310703, -0.04319312554023 ] - [ -0.02445163803304, 0.37506566123526 ] - [ 0.39917127692099, -0.44428678932947 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.70519341641963, 0.00000000000000 ] - [ -0.04576508999790, 0.00619323597868 ] - [ 0.02202757028511, 0.00916766942234 ] - # atom 2 - [ -0.18251755446899, 0.68116478655433 ] - [ -0.00586267249057, 0.04580862681497 ] - [ 0.01455644877787, -0.01890423860748 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.61493516913130, 0.13177042526527 ] - [ -0.30815733943632, -0.09762444740480 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.28643728374512, 0.55987685768013 ] - [ 0.17405489868457, -0.27238996525230 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301266788981, 0.68301257499636 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.32266672841009, -0.01943350088620 ] - [ -0.62127141772179, -0.09762444740480 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10228357692805, -0.30664225217189 ] - [ 0.25509475532167, -0.57483482766133 ] - q-position: [ 0.1666667, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.1276776476, -0.0000000000, -0.0411097124, 0.0000000000, -0.6942681005, 0.0000000000, -0.1159523612, 0.0000000000, 0.1974161091, 0.0000000000, -0.6690158028, 0.0000000000 ] - [ 0.6405642506, 0.1007516123, -0.2001194073, -0.1480678707, 0.1296510496, 0.0272960207, 0.5148927586, -0.0525064276, -0.4267119772, 0.0556910109, -0.2151561275, 0.0255338467 ] - [ 0.1377506129, -0.2103557128, 0.5717142912, -0.3308786405, -0.0085202473, -0.0190926197, 0.4663430573, -0.0347554252, 0.5225874087, -0.0523917401, 0.0733818156, -0.0094362492 ] - [ 0.0638388512, -0.1105721337, -0.0205548650, 0.0356020706, -0.3471341992, 0.6012540700, 0.0579761557, -0.1004176474, -0.0987080122, 0.1709672922, 0.3345077579, -0.5793844321 ] - [ 0.4075357559, -0.5043693240, -0.2282903391, 0.0992745978, 0.0884646101, -0.0986331345, -0.2119743882, 0.4721632204, 0.1651260876, -0.3973887473, 0.0854650672, -0.1990975101 ] - [ -0.1132981333, -0.2244734828, -0.0006921629, -0.6605587035, -0.0207948262, -0.0021675602, -0.2030723604, 0.4212424664, -0.2159210338, 0.4787696363, -0.0285188640, 0.0682686118 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.12767764757268, -0.00000000000000 ] - [ 0.64056425060483, 0.10075161232141 ] - [ 0.13775061287938, -0.21035571276546 ] - # atom 2 - [ 0.06383885117701, -0.11057213373555 ] - [ 0.40753575590224, -0.50436932402440 ] - [ -0.11329813325825, -0.22447348283580 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.04110971244023, 0.00000000000000 ] - [ -0.20011940731286, -0.14806787072711 ] - [ 0.57171429119678, -0.33087864048503 ] - # atom 2 - [ -0.02055486503938, 0.03560207059097 ] - [ -0.22829033914070, 0.09927459775460 ] - [ -0.00069216292863, -0.66055870354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69426810046485, 0.00000000000000 ] - [ 0.12965104959374, 0.02729602069416 ] - [ -0.00852024729492, -0.01909261967753 ] - # atom 2 - [ -0.34713419917370, 0.60125407001430 ] - [ 0.08846461009686, -0.09863313454805 ] - [ -0.02079482623523, -0.00216756016484 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.11595236123093, 0.00000000000000 ] - [ 0.51489275856898, -0.05250642759314 ] - [ 0.46634305732120, -0.03475542516253 ] - # atom 2 - [ 0.05797615574012, -0.10041764736954 ] - [ -0.21197438817673, 0.47216322035538 ] - [ -0.20307236041992, 0.42124246636144 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.19741610907686, 0.00000000000000 ] - [ -0.42671197724970, 0.05569101088029 ] - [ 0.52258740872229, -0.05239174010253 ] - # atom 2 - [ -0.09870801218661, 0.17096729222154 ] - [ 0.16512608759076, -0.39738874733366 ] - [ -0.21592103384040, 0.47876963628152 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.66901580275225, 0.00000000000000 ] - [ -0.21515612753802, 0.02553384668568 ] - [ 0.07338181555727, -0.00943624924801 ] - # atom 2 - [ 0.33450775785168, -0.57938443212576 ] - [ 0.08546506721307, -0.19909751014577 ] - [ -0.02851886397706, 0.06826861178106 ] - q-position: [ 0.1666667, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.6682917038, 0.0000000000, -0.2049982437, 0.0000000000, -0.1065905584, 0.0000000000, 0.1816756629, 0.0000000000, 0.6833698304, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1912168382, 0.0121298316, -0.3119437657, 0.0669417426, -0.5989339345, -0.0526939151, -0.2033019468, 0.0391274504, 0.0540483561, -0.0104021354, -0.6699529255, 0.0726042770 ] - [ -0.1144944021, -0.0597147127, -0.4932420832, -0.3360022114, 0.2307718628, 0.2718159710, -0.6511951282, 0.0087516352, 0.1731219339, -0.0023266452, 0.2137183338, 0.0147153652 ] - [ 0.4725539467, -0.4725539467, -0.1449557560, 0.1449557560, -0.0753709627, 0.0753709627, -0.1284639978, 0.1284639978, -0.4832150820, 0.4832150820, 0.0000000000, 0.0000000000 ] - [ -0.1266337309, 0.1437879160, -0.1732427207, 0.2679127113, -0.4607708136, 0.3862503089, 0.1160888134, -0.1714233433, -0.0308625157, 0.0455733457, 0.4223889662, -0.5250668431 ] - [ -0.1231845380, 0.0387351186, -0.5863646997, 0.1111854623, 0.3553835295, 0.0290225888, 0.4542758128, -0.4666524848, -0.1207704171, 0.1240607878, -0.1615268976, 0.1407162440 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.66829170379209, 0.00000000000000 ] - [ -0.19121683822778, 0.01212983159866 ] - [ -0.11449440211560, -0.05971471270147 ] - # atom 2 - [ 0.47255394674196, -0.47255394674344 ] - [ -0.12663373091806, 0.14378791602281 ] - [ -0.12318453797674, 0.03873511864239 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.20499824372004, 0.00000000000000 ] - [ -0.31194376566688, 0.06694174255842 ] - [ -0.49324208317218, -0.33600221137231 ] - # atom 2 - [ -0.14495575599007, 0.14495575599053 ] - [ -0.17324272069011, 0.26791271126024 ] - [ -0.58636469969206, 0.11118546225149 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10659055838567, 0.00000000000000 ] - [ -0.59893393447536, -0.05269391506455 ] - [ 0.23077186279125, 0.27181597097765 ] - # atom 2 - [ -0.07537096265712, 0.07537096265735 ] - [ -0.46077081364298, 0.38625030892524 ] - [ 0.35538352950477, 0.02902258879407 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.18167566294301, 0.00000000000000 ] - [ -0.20330194681128, 0.03912745040786 ] - [ -0.65119512820658, 0.00875163521613 ] - # atom 2 - [ -0.12846399777469, 0.12846399777509 ] - [ 0.11608881343249, -0.17142334333868 ] - [ 0.45427581282461, -0.46665248484386 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.68336983037856, 0.00000000000000 ] - [ 0.05404835613548, -0.01040213538280 ] - [ 0.17312193392654, -0.00232664519129 ] - # atom 2 - [ -0.48321508201448, 0.48321508201600 ] - [ -0.03086251573168, 0.04557334573537 ] - [ -0.12077041710806, 0.12406078784755 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.66995292548849, 0.07260427695843 ] - [ 0.21371833379847, 0.01471536518580 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.42238896620690, -0.52506684306371 ] - [ -0.16152689756355, 0.14071624400854 ] - q-position: [ 0.1666667, 0.6666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, 0.0000000004, 0.0000000000, -0.0000000002, 0.0000000000, 0.9935015003, 0.0034830484, 0.0000000000, 0.0000000000, 0.1136058140, 0.0060296270 ] - [ -0.0000000003, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.1136685657, -0.0047004825, 0.0000000000, 0.0000000000, -0.9934742821, -0.0081371701 ] - [ -0.1206585873, -0.0402195291, -0.9120590290, -0.3040196763, -0.2314947796, -0.0771649265, 0.0000000003, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000001, 0.0000000000 ] - [ -0.1249082425, -0.0157565605, -0.2169249684, -0.0723083227, 0.9197599550, 0.2930978532, 0.0000000003, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000001, 0.0000000000 ] - [ 0.9443161775, 0.2761168474, -0.1452304575, -0.0484101525, 0.0799970268, 0.0468133579, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000003, -0.0000000001 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000013689, 0.00000000000575 ] - [ -0.00000000032831, 0.00000000000219 ] - # atom 2 - [ -0.12065858730103, -0.04021952910299 ] - [ -0.12490824245405, -0.01575656045065 ] - [ 0.94431617753365, 0.27611684738041 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000038567, 0.00000000004957 ] - [ -0.00000000003872, 0.00000000000202 ] - # atom 2 - [ -0.91205902896181, -0.30401967633895 ] - [ -0.21692496835754, -0.07230832272954 ] - [ -0.14523045750240, -0.04841015253825 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000018197, 0.00000000000868 ] - [ 0.00000000001104, 0.00000000000535 ] - # atom 2 - [ -0.23149477961480, -0.07716492654281 ] - [ 0.91975995497121, 0.29309785323042 ] - [ 0.07999702684138, 0.04681335794781 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.99350150025405, 0.00348304839209 ] - [ 0.11366856571324, -0.00470048247984 ] - # atom 2 - [ 0.00000000033145, 0.00000000005881 ] - [ 0.00000000026027, 0.00000000007979 ] - [ -0.00000000002304, -0.00000000000295 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.11360581395883, 0.00602962698682 ] - [ -0.99347428205068, -0.00813717008729 ] - # atom 2 - [ 0.00000000010907, 0.00000000003684 ] - [ 0.00000000009061, 0.00000000001815 ] - [ -0.00000000030661, -0.00000000009401 ] - q-position: [ 0.1666667, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.2421034589, 0.0000000000, 0.6462639552, 0.0000000000, 0.1540403966, 0.0000000000, 0.0262734142, 0.0000000000, -0.0262734142, 0.0000000000, 0.7061301488, 0.0000000000 ] - [ -0.5864408224, -0.0377544499, 0.1317327874, 0.0062858587, 0.3690278691, 0.0329664111, 0.3686780681, -0.1190901931, -0.5291821980, -0.2621377675, -0.0334072334, -0.0053224582 ] - [ -0.3093217512, -0.0191666678, 0.2540733996, 0.0199046954, -0.5797869666, -0.0533845070, -0.5703223812, -0.1547141518, -0.1980378109, -0.3336781337, 0.0138518186, -0.0066588218 ] - [ -0.2338541574, 0.0626610326, -0.6242435089, 0.1672655441, -0.1487917080, 0.0398686180, 0.0253781505, -0.0068000549, -0.0253781505, 0.0068000549, 0.6820688405, -0.1827597950 ] - [ 0.5762303349, -0.1153141411, -0.1288710972, 0.0280233019, -0.3649861557, 0.0636683801, 0.3252926157, -0.2104530423, -0.5789965682, -0.1162431222, -0.0336464380, 0.0035053258 ] - [ 0.3037427925, -0.0615448266, -0.2505679590, 0.0465326099, 0.5738485583, -0.0984945082, -0.5909316472, -0.0018320995, -0.2776518857, -0.2710521685, 0.0116563908, -0.0100170350 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.24210345889922, 0.00000000000000 ] - [ -0.58644082240665, -0.03775444992725 ] - [ -0.30932175123101, -0.01916666775225 ] - # atom 2 - [ -0.23385415737441, 0.06266103261526 ] - [ 0.57623033485944, -0.11531414111888 ] - [ 0.30374279252022, -0.06154482663472 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.64626395522440, 0.00000000000000 ] - [ 0.13173278740692, 0.00628585865452 ] - [ 0.25407339963847, 0.01990469541213 ] - # atom 2 - [ -0.62424350886026, 0.16726554407983 ] - [ -0.12887109723112, 0.02802330185626 ] - [ -0.25056795895417, 0.04653260989844 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.15404039661516, 0.00000000000000 ] - [ 0.36902786912474, 0.03296641109580 ] - [ -0.57978696656439, -0.05338450696627 ] - # atom 2 - [ -0.14879170795760, 0.03986861798777 ] - [ -0.36498615568936, 0.06366838014122 ] - [ 0.57384855832471, -0.09849450824359 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.02627341421903, 0.00000000000000 ] - [ 0.36867806805574, -0.11909019313001 ] - [ -0.57032238123801, -0.15471415183048 ] - # atom 2 - [ 0.02537815047904, -0.00680005492627 ] - [ 0.32529261571144, -0.21045304232738 ] - [ -0.59093164723524, -0.00183209947100 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02627341421903, 0.00000000000000 ] - [ -0.52918219795675, -0.26213776754724 ] - [ -0.19803781088207, -0.33367813373776 ] - # atom 2 - [ -0.02537815047904, 0.00680005492627 ] - [ -0.57899656821655, -0.11624312217225 ] - [ -0.27765188572007, -0.27105216850461 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70613014876009, 0.00000000000000 ] - [ -0.03340723338491, -0.00532245816482 ] - [ 0.01385181859391, -0.00665882179821 ] - # atom 2 - [ 0.68206884052570, -0.18275979500168 ] - [ -0.03364643804665, 0.00350532583848 ] - [ 0.01165639075909, -0.01001703496475 ] - q-position: [ 0.1666667, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.2067061999, 0.0000000000, 0.6762191452, 0.0000000000, -0.0000000000, 0.0000000000, -0.2157025883, 0.0000000000, 0.6734037481, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6740575625, 0.0000000000, 0.2060454488, -0.0000000000, 0.0564930174, 0.0000000000, -0.5603974899, 0.0000000000, -0.1795047761, 0.0000000000, -0.3920878769, 0.0000000000 ] - [ -0.0540253172, 0.0000000000, 0.0165144215, -0.0000000000, -0.7048463127, -0.0000000000, 0.3733996000, 0.0000000000, 0.1196061952, 0.0000000000, -0.5884448244, 0.0000000000 ] - [ -0.2067062886, 0.0000000000, -0.6762194354, 0.0000000000, 0.0000000000, 0.0000000000, -0.2157024957, 0.0000000000, 0.6734034592, -0.0000000000, 0.0000000000, -0.0000000000 ] - [ 0.6740578517, -0.0000000000, -0.2060455372, 0.0000000000, -0.0564930416, -0.0000000000, -0.5603972494, 0.0000000000, -0.1795046991, 0.0000000000, -0.3920877087, 0.0000000000 ] - [ 0.0540253403, -0.0000000000, -0.0165144286, 0.0000000000, 0.7048466151, 0.0000000000, 0.3733994398, -0.0000000000, 0.1196061439, -0.0000000000, -0.5884445719, 0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.20670619990080, 0.00000000000000 ] - [ -0.67405756245128, 0.00000000000085 ] - [ -0.05402531716249, 0.00000000000000 ] - # atom 2 - [ -0.20670628859031, 0.00000000000032 ] - [ 0.67405785166289, -0.00000000000191 ] - [ 0.05402534034263, -0.00000000000008 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.67621914524233, 0.00000000000000 ] - [ 0.20604544877056, -0.00000000000026 ] - [ 0.01651442152690, -0.00000000000000 ] - # atom 2 - [ -0.67621943538139, 0.00000000000106 ] - [ -0.20604553717656, 0.00000000000058 ] - [ -0.01651442861259, 0.00000000000003 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.05649301738158, 0.00000000000167 ] - [ -0.70484631265036, -0.00000000002168 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05649304162052, -0.00000000000158 ] - [ 0.70484661507222, 0.00000000002057 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.21570258825350, 0.00000000000000 ] - [ -0.56039748988813, 0.00000000000085 ] - [ 0.37339959999728, 0.00000000000000 ] - # atom 2 - [ -0.21570249570403, 0.00000000000034 ] - [ -0.56039724944369, 0.00000000000173 ] - [ 0.37339943978625, -0.00000000000059 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.67340374809697, 0.00000000000000 ] - [ -0.17950477608899, 0.00000000000027 ] - [ 0.11960619524297, 0.00000000000000 ] - # atom 2 - [ 0.67340345916601, -0.00000000000106 ] - [ -0.17950469907058, 0.00000000000055 ] - [ 0.11960614392467, -0.00000000000019 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.39208787690852, 0.00000000000251 ] - [ -0.58844482435627, 0.00000000000289 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.39208770867909, 0.00000000000313 ] - [ -0.58844457187782, 0.00000000000381 ] - q-position: [ 0.1666667, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.6669829952, 0.0000000000, -0.2278663489, 0.0000000000, 0.0566611616, 0.0000000000, -0.0867582349, 0.0000000000, 0.6989561699, 0.0000000000, -0.0627168647, 0.0000000000 ] - [ -0.2306468089, 0.0005346926, -0.6038852516, 0.0031855920, 0.2864814548, 0.0065169572, -0.6042548692, 0.2343352440, -0.0548560575, 0.0431814823, 0.2245345995, 0.1570781860 ] - [ 0.0414838444, -0.0146428991, 0.2752790060, -0.0872394803, 0.6187272238, -0.1784710530, -0.0783153119, 0.2574934775, -0.0658420130, 0.0474489021, -0.6254487247, 0.1726014733 ] - [ 0.0000000000, -0.6669831605, -0.0000000000, 0.2278664053, -0.0000000000, -0.0566611757, 0.0000000000, -0.0867582135, 0.0000000000, 0.6989559967, 0.0000000000, -0.0627168491 ] - [ 0.0005346927, 0.2306468660, 0.0031855928, 0.6038854012, 0.0065169588, -0.2864815258, -0.2343351859, -0.6042547195, -0.0431814716, -0.0548560439, -0.1570781471, 0.2245345439 ] - [ -0.0146429027, -0.0414838547, -0.0872395019, -0.2752790742, -0.1784710972, -0.6187273771, -0.2574934137, -0.0783152925, -0.0474488903, -0.0658419967, -0.1726014306, -0.6254485698 ] band: - # 1 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.66698299524403, 0.00000000000000 ] - [ -0.23064680890758, 0.00053469257448 ] - [ 0.04148384441769, -0.01464289906730 ] - # atom 2 - [ 0.00000000000000, -0.66698316046793 ] - [ 0.00053469270693, 0.23064686604301 ] - [ -0.01464290269462, -0.04148385469400 ] - # 2 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.22786634889576, 0.00000000000000 ] - [ -0.60388525159345, 0.00318559201355 ] - [ 0.27527900604347, -0.08723948031101 ] - # atom 2 - [ -0.00000000000000, 0.22786640534242 ] - [ 0.00318559280267, 0.60388540118688 ] - [ -0.08723950192183, -0.27527907423512 ] - # 3 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.05666116162840, 0.00000000000000 ] - [ 0.28648145483697, 0.00651695721943 ] - [ 0.61872722378603, -0.17847105298314 ] - # atom 2 - [ -0.00000000000000, -0.05666117566441 ] - [ 0.00651695883380, -0.28648152580366 ] - [ -0.17847109719369, -0.61872737705609 ] - # 4 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ -0.08675823494429, 0.00000000000000 ] - [ -0.60425486917334, 0.23433524398604 ] - [ -0.07831531186219, 0.25749347751491 ] - # atom 2 - [ 0.00000000000000, -0.08675821345269 ] - [ -0.23433518593693, -0.60425471948839 ] - [ -0.25749341372908, -0.07831529246206 ] - # 5 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.69895616987993, 0.00000000000000 ] - [ -0.05485605745323, 0.04318148231955 ] - [ -0.06584201304879, 0.04744890208393 ] - # atom 2 - [ 0.00000000000000, 0.69895599673574 ] - [ -0.04318147162270, -0.05485604386438 ] - [ -0.04744889032998, -0.06584199673852 ] - # 6 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ -0.06271686467980, 0.00000000000000 ] - [ 0.22453459951553, 0.15707818604510 ] - [ -0.62544872470521, 0.17260147333576 ] - # atom 2 - [ 0.00000000000000, -0.06271684914369 ] - [ -0.15707814713397, 0.22453454389422 ] - [ -0.17260143057923, -0.62544856977016 ] - q-position: [ 0.1666667, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066819, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071068805, 0.0000000000 ] - [ -0.6710996487, 0.1675387482, -0.0217073767, 0.1452056428, 0.0000000000, 0.0000000000, 0.6996750861, 0.0592259533, 0.0717737704, -0.0423760160, 0.0000000000, 0.0000000000 ] - [ -0.0922603949, 0.1142099314, -0.3305640520, -0.6075947483, 0.0000000000, 0.0000000000, 0.0743741584, 0.0376255952, -0.6943520808, 0.1045376843, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, -0.0506376448, 0.7052914074, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0506376305, -0.7052912093 ] - [ 0.1190495523, 0.6813746719, 0.1432783544, 0.0320501823, -0.0000000000, 0.0000000000, -0.1091792979, 0.6936371844, 0.0371273122, 0.0746241224, 0.0000000000, -0.0000000000 ] - [ 0.1073097400, 0.1002023988, -0.6297074425, 0.2862040816, -0.0000000000, 0.0000000000, -0.0428550952, 0.0714887247, -0.0545450295, -0.7000553566, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67109964869903, 0.16753874823962 ] - [ -0.09226039494708, 0.11420993142231 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.11904955233178, 0.68137467190370 ] - [ 0.10730973997699, 0.10020239880787 ] - # 2 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02170737673551, 0.14520564281922 ] - [ -0.33056405204733, -0.60759474828188 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.14327835438875, 0.03205018228394 ] - [ -0.62970744246427, 0.28620408160503 ] - # 3 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.70710668187830, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063764476731, 0.70529140741645 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69967508605830, 0.05922595327716 ] - [ 0.07437415839777, 0.03762559518999 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.10917929785092, 0.69363718436203 ] - [ -0.04285509521038, 0.07148872472316 ] - # 5 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07177377041849, -0.04237601598418 ] - [ -0.69435208082916, 0.10453768430808 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03712731217048, 0.07462412236690 ] - [ -0.05454502948790, -0.70005535664480 ] - # 6 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.70710688049478, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.05063763054390, -0.70529120930992 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.1666667, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.1444747524, -0.0000000000, 0.5063614213, 0.0000000000, 0.4719374348, 0.0000000000, -0.0709946271, 0.0000000000, 0.7018022232, 0.0000000000, -0.0493317029, 0.0000000000 ] - [ -0.6545430054, -0.0048523243, -0.0566574156, 0.0085404462, 0.2611661187, -0.0076779544, -0.5483558326, -0.0786992010, -0.0386737299, -0.0336327818, 0.2389742812, -0.3652081635 ] - [ 0.2168214235, 0.0605409839, -0.4784982681, -0.1065565669, 0.4470250209, 0.0957955179, 0.4172792079, -0.1181116282, 0.0479500133, -0.0504760222, 0.0816279173, -0.5481037958 ] - [ 0.0000000000, -0.1444748144, 0.0000000000, -0.5063616386, 0.0000000000, -0.4719376373, 0.0000000000, -0.0709945966, -0.0000000000, 0.7018019221, 0.0000000000, -0.0493316818 ] - [ -0.0048523263, 0.6545432862, 0.0085404498, 0.0566574399, -0.0076779577, -0.2611662308, 0.0786991673, -0.5483555973, 0.0336327674, -0.0386737133, 0.3652080068, 0.2389741787 ] - [ 0.0605410099, -0.2168215165, -0.1065566126, 0.4784984734, 0.0957955590, -0.4470252127, 0.1181115775, 0.4172790289, 0.0504760006, 0.0479499927, 0.5481035606, 0.0816278823 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.14447475241057, -0.00000000000000 ] - [ -0.65454300539851, -0.00485232425471 ] - [ 0.21682142348357, 0.06054098394784 ] - # atom 2 - [ 0.00000000000023, -0.14447481439901 ] - [ -0.00485232633768, 0.65454328623719 ] - [ 0.06054100992394, -0.21682151651303 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.50636142134040, 0.00000000000000 ] - [ -0.05665741555853, 0.00854044616210 ] - [ -0.47849826806457, -0.10655656689575 ] - # atom 2 - [ 0.00000000000080, -0.50636163860019 ] - [ 0.00854044982638, 0.05665743986801 ] - [ -0.10655661261574, 0.47849847336921 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.47193743479801, 0.00000000000000 ] - [ 0.26116611870695, -0.00767795441732 ] - [ 0.44702502089349, 0.09579551793615 ] - # atom 2 - [ 0.00000000000074, -0.47193763728782 ] - [ -0.00767795771122, -0.26116623076309 ] - [ 0.09579555903894, -0.44702521269421 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.07099462707993, 0.00000000000000 ] - [ -0.54835583257541, -0.07869920104006 ] - [ 0.41727920794087, -0.11811162818501 ] - # atom 2 - [ 0.00000000000011, -0.07099459661893 ] - [ 0.07869916727420, -0.54835559729745 ] - [ 0.11811157750732, 0.41727902890302 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70180222323859, 0.00000000000000 ] - [ -0.03867372985306, -0.03363278182169 ] - [ 0.04795001327964, -0.05047602223191 ] - # atom 2 - [ -0.00000000000110, 0.70180192212295 ] - [ 0.03363276739125, -0.03867371325963 ] - [ 0.05047600057456, 0.04794999270626 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.04933170292488, 0.00000000000000 ] - [ 0.23897428124350, -0.36520816348602 ] - [ 0.08162791732802, -0.54810379578767 ] - # atom 2 - [ 0.00000000000008, -0.04933168175859 ] - [ 0.36520800678924, 0.23897417870965 ] - [ 0.54810356061784, 0.08162788230557 ] - q-position: [ 0.1666667, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.0614392691, 0.0000000000, 0.4724955207, 0.0000000000, -0.5224680158, 0.0000000000, -0.0117916520, 0.0000000000, 0.1527402451, 0.0000000000, 0.6903127886, 0.0000000000 ] - [ 0.2150615255, -0.1062041544, 0.4800099279, 0.0289016566, 0.4593884344, 0.0136482951, -0.6961685784, 0.0174057336, 0.1001112741, 0.0607674657, -0.0340425363, -0.0131482357 ] - [ 0.1119517200, -0.6528099837, -0.1180789251, 0.1776517439, -0.0936201449, 0.0838931450, 0.0470440741, -0.1126700249, 0.5551797658, -0.3933589514, -0.1220368035, 0.0851109495 ] - [ -0.0434441561, -0.0434441561, -0.3341050351, -0.3341050351, 0.3694409515, 0.3694409515, -0.0083379509, -0.0083379509, 0.1080035828, 0.1080035828, 0.4881244912, 0.4881244912 ] - [ -0.2271693097, -0.0769738425, -0.3189819548, -0.3598550999, -0.3151861094, -0.3344877277, -0.5045728599, -0.4799574537, 0.0278202530, 0.1137583633, -0.0147744907, -0.0333688901 ] - [ -0.5407685886, 0.3824448302, 0.2091133168, -0.0421243755, 0.1255209443, 0.0068780327, 0.1129348385, -0.0464045204, 0.6707176607, 0.1144245102, -0.1464754720, -0.0261105023 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.06143926906416, 0.00000000000000 ] - [ 0.21506152550116, -0.10620415444700 ] - [ 0.11195171996780, -0.65280998373418 ] - # atom 2 - [ -0.04344415607213, -0.04344415607213 ] - [ -0.22716930967575, -0.07697384245799 ] - [ -0.54076858855407, 0.38244483018560 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.47249552071773, 0.00000000000000 ] - [ 0.48000992793961, 0.02890165655786 ] - [ -0.11807892507139, 0.17765174388643 ] - # atom 2 - [ -0.33410503507144, -0.33410503507144 ] - [ -0.31898195479626, -0.35985509985050 ] - [ 0.20911331682841, -0.04212437546343 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.52246801580685, 0.00000000000000 ] - [ 0.45938843435510, 0.01364829506951 ] - [ -0.09362014489358, 0.08389314497640 ] - # atom 2 - [ 0.36944095148181, 0.36944095148181 ] - [ -0.31518610936786, -0.33448772770251 ] - [ 0.12552094429925, 0.00687803271348 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ -0.01179165204855, 0.00000000000000 ] - [ -0.69616857839967, 0.01740573360742 ] - [ 0.04704407405092, -0.11267002486300 ] - # atom 2 - [ -0.00833795092853, -0.00833795092853 ] - [ -0.50457285992486, -0.47995745368726 ] - [ 0.11293483846503, -0.04640452035528 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.15274024509024, 0.00000000000000 ] - [ 0.10011127406195, 0.06076746570489 ] - [ 0.55517976582089, -0.39335895140155 ] - # atom 2 - [ 0.10800358279999, 0.10800358279999 ] - [ 0.02782025301222, 0.11375836329778 ] - [ 0.67071766071875, 0.11442451017789 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.69031278855975, 0.00000000000000 ] - [ -0.03404253632498, -0.01314823570032 ] - [ -0.12203680352530, 0.08511094954304 ] - # atom 2 - [ 0.48812449117820, 0.48812449117820 ] - [ -0.01477449068011, -0.03336889011026 ] - [ -0.14647547204820, -0.02611050234781 ] - q-position: [ 0.1666667, 0.8333333, 0.6666667 ] dynamical_matrix: - [ -0.3508574911, 0.0000000000, 0.6139208470, 0.0000000000, 0.0000000000, 0.0000000000, 0.0630561934, 0.0000000000, 0.7034056250, 0.0000000000, -0.0352797065, 0.0000000000 ] - [ 0.5927962337, -0.0000000000, 0.3387847151, -0.0000000000, -0.1838948819, 0.0000000000, 0.4626858411, -0.0000000000, -0.0146681456, 0.0000000000, 0.5345155493, -0.0000000000 ] - [ -0.1596603638, -0.0000000000, -0.0912463470, -0.0000000000, -0.6827755545, -0.0000000000, -0.5309858223, -0.0000000000, 0.0707501712, 0.0000000000, 0.4615719709, 0.0000000000 ] - [ 0.3508576416, -0.0000000000, -0.6139211104, 0.0000000000, -0.0000000000, 0.0000000000, 0.0630561663, -0.0000000000, 0.7034053232, -0.0000000000, -0.0352796914, 0.0000000000 ] - [ -0.5927964880, 0.0000000000, -0.3387848605, 0.0000000000, 0.1838949608, -0.0000000000, 0.4626856426, -0.0000000000, -0.0146681393, 0.0000000000, 0.5345153200, -0.0000000000 ] - [ 0.1596604323, 0.0000000000, 0.0912463862, 0.0000000000, 0.6827758475, 0.0000000000, -0.5309855945, 0.0000000000, 0.0707501408, -0.0000000000, 0.4615717729, -0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.35085749108399, 0.00000000000000 ] - [ 0.59279623367913, -0.00000000000072 ] - [ -0.15966036375938, -0.00000000000040 ] - # atom 2 - [ 0.35085764162316, -0.00000000000055 ] - [ -0.59279648802470, 0.00000000000165 ] - [ 0.15966043226337, 0.00000000000015 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.61392084703155, 0.00000000000000 ] - [ 0.33878471512796, -0.00000000000041 ] - [ -0.09124634702508, -0.00000000000023 ] - # atom 2 - [ -0.61392111044087, 0.00000000000096 ] - [ -0.33878486048717, 0.00000000000094 ] - [ 0.09124638617530, 0.00000000000008 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.18389488193312, 0.00000000000034 ] - [ -0.68277555453347, -0.00000000000129 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.18389496083519, -0.00000000000062 ] - [ 0.68277584748564, 0.00000000000021 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.06305619336466, 0.00000000000000 ] - [ 0.46268584108958, -0.00000000000071 ] - [ -0.53098582228144, -0.00000000000001 ] - # atom 2 - [ 0.06305616630974, -0.00000000000010 ] - [ 0.46268564256935, -0.00000000000143 ] - [ -0.53098559445638, 0.00000000000082 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70340562502393, 0.00000000000000 ] - [ -0.01466814562654, 0.00000000000002 ] - [ 0.07075017115795, 0.00000000000000 ] - # atom 2 - [ 0.70340532322034, -0.00000000000111 ] - [ -0.01466813933302, 0.00000000000005 ] - [ 0.07075014080185, -0.00000000000011 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.03527970653732, 0.00000000000000 ] - [ 0.53451554934297, -0.00000000000077 ] - [ 0.46157197092927, 0.00000000000005 ] - # atom 2 - [ -0.03527969140019, 0.00000000000006 ] - [ 0.53451532000345, -0.00000000000161 ] - [ 0.46157177288696, -0.00000000000067 ] - q-position: [ 0.1666667, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071066819, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071068805, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1431675757, -0.0770351040, 0.0000000000, 0.0000000000, 0.6613382715, 0.1902634704, -0.3925495740, 0.0423545398, 0.0000000000, 0.0000000000, -0.5830425536, 0.0645944741 ] - [ 0.6701985081, 0.1562128589, 0.0000000000, 0.0000000000, 0.1625577637, 0.0025170308, 0.5866058794, 0.0021465453, -0.0000000000, 0.0000000000, -0.3948277790, -0.0003161944 ] - [ -0.0000000000, -0.0000000000, 0.7052914074, -0.0506376448, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7052912093, 0.0506376305, -0.0000000000, 0.0000000000 ] - [ 0.1483167107, 0.0665847591, 0.0000000000, -0.0000000000, -0.6732657271, -0.1424149721, -0.3885084954, 0.0703572066, -0.0000000000, 0.0000000000, -0.5769196819, 0.1061816965 ] - [ -0.6796647700, -0.1078172715, 0.0000000000, -0.0000000000, -0.1623206984, 0.0091305913, 0.5852533435, -0.0398672294, -0.0000000000, 0.0000000000, -0.3938366049, 0.0279591878 ] band: - # 1 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14316757568237, -0.07703510398237 ] - [ 0.67019850813871, 0.15621285886013 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.14831671071317, 0.06658475909679 ] - [ -0.67966477000611, -0.10781727150532 ] - # 2 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.70710668187830, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70529140741645, -0.05063764476731 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.66133827154162, 0.19026347042704 ] - [ 0.16255776366682, 0.00251703078721 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67326572714182, -0.14241497210092 ] - [ -0.16232069838320, 0.00913059128102 ] - # 4 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.39254957399729, 0.04235453978116 ] - [ 0.58660587936083, 0.00214654532621 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.38850849539057, 0.07035720660143 ] - [ 0.58525334348650, -0.03986722944242 ] - # 5 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.70710688049478, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70529120930992, 0.05063763054390 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58304255357341, 0.06459447406807 ] - [ -0.39482777904632, -0.00031619436786 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.57691968191633, 0.10618169645994 ] - [ -0.39383660485872, 0.02795918784145 ] - q-position: [ 0.3333333, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.2379041742, 0.0000000000, -0.1318732231, 0.0000000000, 0.6526951175, 0.0000000000, -0.0112320934, 0.0000000000, -0.7066521019, 0.0000000000, 0.0227329594, 0.0000000000 ] - [ -0.6598049163, -0.0532368856, 0.0274362089, 0.0091430402, 0.2460389863, 0.0212518818, -0.4618170971, 0.0515751878, -0.0097981892, -0.0004368561, -0.5327543813, 0.0119030721 ] - [ -0.0714792038, -0.0107467811, -0.6741242655, -0.1653162014, -0.1101490371, -0.0294840205, 0.5322304296, 0.0258789314, -0.0232530515, -0.0024591889, -0.4598501936, -0.0636571958 ] - [ 0.2336173270, -0.0449596756, -0.1294969707, 0.0249217036, 0.6409340619, -0.1233478177, 0.0110296937, -0.0021226655, 0.6939183937, -0.1335446571, -0.0223233168, 0.0042961243 ] - [ -0.6579765761, 0.0724138452, 0.0286697026, 0.0037933321, 0.2456217854, -0.0256280714, 0.4437484678, -0.1379210182, 0.0097041861, -0.0014226991, 0.5209048014, -0.1123696676 ] - [ -0.0722221557, 0.0029551711, -0.6932189076, -0.0349397856, -0.1137361953, -0.0081365243, -0.5275304168, 0.0751694697, 0.0232987797, -0.0019795375, 0.4635938748, -0.0243933858 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.23790417424188, 0.00000000000000 ] - [ -0.65980491629714, -0.05323688563252 ] - [ -0.07147920375572, -0.01074678109738 ] - # atom 2 - [ 0.23361732703618, -0.04495967555040 ] - [ -0.65797657613552, 0.07241384518358 ] - [ -0.07222215569016, 0.00295517107880 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.13187322309151, 0.00000000000000 ] - [ 0.02743620892635, 0.00914304016206 ] - [ -0.67412426553950, -0.16531620143099 ] - # atom 2 - [ -0.12949697072134, 0.02492170363498 ] - [ 0.02866970255711, 0.00379333214668 ] - [ -0.69321890761552, -0.03493978557232 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.65269511754470, 0.00000000000000 ] - [ 0.24603898628357, 0.02125188180175 ] - [ -0.11014903709770, -0.02948402050503 ] - # atom 2 - [ 0.64093406186025, -0.12334781771549 ] - [ 0.24562178540630, -0.02562807144715 ] - [ -0.11373619527454, -0.00813652428223 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.01123209340979, 0.00000000000000 ] - [ -0.46181709713961, 0.05157518782085 ] - [ 0.53223042962942, 0.02587893135262 ] - # atom 2 - [ 0.01102969367259, -0.00212266553698 ] - [ 0.44374846777199, -0.13792101816967 ] - [ -0.52753041677851, 0.07516946970677 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.70665210186869, 0.00000000000000 ] - [ -0.00979818916998, -0.00043685608818 ] - [ -0.02325305148083, -0.00245918892909 ] - # atom 2 - [ 0.69391839369080, -0.13354465713052 ] - [ 0.00970418607443, -0.00142269914087 ] - [ 0.02329877974014, -0.00197953752928 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.02273295944759, 0.00000000000000 ] - [ -0.53275438126332, 0.01190307205395 ] - [ -0.45985019358197, -0.06365719582931 ] - # atom 2 - [ -0.02232331675232, 0.00429612431204 ] - [ 0.52090480142679, -0.11236966763457 ] - [ 0.46359387482666, -0.02439338581317 ] - q-position: [ 0.3333333, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.4998383540, 0.0000000000, -0.4998383540, 0.0000000000, -0.0179749653, 0.0000000000, -0.0153003354, 0.0000000000, -0.1025389984, 0.0000000000, 0.6994653630, 0.0000000000 ] - [ 0.4984492589, -0.0141299265, -0.4997786670, 0.0140413113, 0.0369674789, 0.0024641624, 0.3164979320, 0.1535646807, -0.6074693838, 0.0210075027, -0.0821295531, 0.0064387454 ] - [ 0.0388422220, 0.0012011284, -0.0135706424, 0.0012011284, -0.7027387578, -0.0668006875, 0.5851265666, 0.1834118022, 0.3404713623, -0.0640685436, 0.0627110755, -0.0053801981 ] - [ -0.4985551759, 0.0357946512, -0.4985551759, 0.0357946512, -0.0179288202, 0.0012872314, 0.0152610480, -0.0010956940, 0.1022757042, -0.0073430652, -0.6976693133, 0.0500904030 ] - [ 0.4961577682, -0.0497888270, -0.4974901094, 0.0497956415, 0.0370490412, -0.0001894954, -0.3266823830, -0.1305051846, 0.6044051585, -0.0644559097, 0.0814575711, -0.0123037079 ] - [ 0.0388285226, -0.0015835420, -0.0134497883, 0.0021698718, -0.7057184578, -0.0163043507, -0.5967586718, -0.1410385214, -0.3350090151, 0.0882860079, -0.0621647604, 0.0098572746 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.49983835396028, 0.00000000000000 ] - [ 0.49844925892476, -0.01412992646047 ] - [ 0.03884222204609, 0.00120112835444 ] - # atom 2 - [ -0.49855517587383, 0.03579465115687 ] - [ 0.49615776819438, -0.04978882696179 ] - [ 0.03882852258172, -0.00158354200719 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.49983835396028, 0.00000000000000 ] - [ -0.49977866701094, 0.01404131134407 ] - [ -0.01357064237264, 0.00120112835444 ] - # atom 2 - [ -0.49855517587383, 0.03579465115687 ] - [ -0.49749010938852, 0.04979564151238 ] - [ -0.01344978825875, 0.00216987183778 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.01797496529879, 0.00000000000000 ] - [ 0.03696747885138, 0.00246416241585 ] - [ -0.70273875782137, -0.06680068746719 ] - # atom 2 - [ -0.01792882021730, 0.00128723137656 ] - [ 0.03704904117042, -0.00018949542841 ] - [ -0.70571845779555, -0.01630435066357 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.01530033539597, 0.00000000000000 ] - [ 0.31649793195528, 0.15356468065201 ] - [ 0.58512656658578, 0.18341180218196 ] - # atom 2 - [ 0.01526104801402, -0.00109569395001 ] - [ -0.32668238297234, -0.13050518461052 ] - [ -0.59675867179733, -0.14103852135214 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.10253899838162, 0.00000000000000 ] - [ -0.60746938380916, 0.02100750272667 ] - [ 0.34047136228599, -0.06406854361370 ] - # atom 2 - [ 0.10227570423215, -0.00734306518510 ] - [ 0.60440515847448, -0.06445590968421 ] - [ -0.33500901509458, 0.08828600792896 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.69946536296712, 0.00000000000000 ] - [ -0.08212955307545, 0.00643874542685 ] - [ 0.06271107549660, -0.00538019807727 ] - # atom 2 - [ -0.69766931326185, 0.05009040302768 ] - [ 0.08145757110478, -0.01230370790305 ] - [ -0.06216476038372, 0.00985727458249 ] - q-position: [ 0.3333333, 0.0000000, 0.3333333 ] dynamical_matrix: - [ -0.1872854841, 0.0000000000, 0.0350804043, 0.0000000000, 0.6809503116, 0.0000000000, -0.0207767948, 0.0000000000, 0.0544228494, 0.0000000000, -0.7047032454, 0.0000000000 ] - [ 0.6810025056, 0.0000000000, -0.0256429955, 0.0000000000, 0.1886208853, 0.0000000000, -0.2220029761, 0.0000000000, 0.6688257800, 0.0000000000, 0.0581974260, 0.0000000000 ] - [ 0.0340521514, 0.0000000000, 0.7057702291, 0.0000000000, -0.0269934986, 0.0000000000, 0.6710314368, 0.0000000000, 0.2229583262, 0.0000000000, -0.0025654133, 0.0000000000 ] - [ -0.1872855537, 0.0000000000, 0.0350804173, 0.0000000000, 0.6809505646, 0.0000000000, 0.0207767871, 0.0000000000, -0.0544228292, 0.0000000000, 0.7047029835, 0.0000000000 ] - [ 0.6810027586, 0.0000000000, -0.0256430051, 0.0000000000, 0.1886209553, 0.0000000000, 0.2220028936, 0.0000000000, -0.6688255315, 0.0000000000, -0.0581974044, 0.0000000000 ] - [ 0.0340521641, 0.0000000000, 0.7057704913, 0.0000000000, -0.0269935087, 0.0000000000, -0.6710311875, 0.0000000000, -0.2229582434, 0.0000000000, 0.0025654123, 0.0000000000 ] band: - # 1 frequency: 644.4479832027 eigenvector: - # atom 1 - [ -0.18728548410975, 0.00000000000000 ] - [ 0.68100250560192, 0.00000000000000 ] - [ 0.03405215142971, 0.00000000000000 ] - # atom 2 - [ -0.18728555370082, 0.00000000000000 ] - [ 0.68100275864710, 0.00000000000000 ] - [ 0.03405216408272, 0.00000000000000 ] - # 2 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.03508040429902, 0.00000000000000 ] - [ -0.02564299553809, 0.00000000000000 ] - [ 0.70577022905855, 0.00000000000000 ] - # atom 2 - [ 0.03508041733411, 0.00000000000000 ] - [ -0.02564300506645, 0.00000000000000 ] - [ 0.70577049130686, 0.00000000000000 ] - # 3 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.68095031161407, 0.00000000000000 ] - [ 0.18862088525677, 0.00000000000000 ] - [ -0.02699349864240, 0.00000000000000 ] - # atom 2 - [ 0.68095056463986, 0.00000000000000 ] - [ 0.18862095534404, 0.00000000000000 ] - [ -0.02699350867257, 0.00000000000000 ] - # 4 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.02077679482572, 0.00000000000000 ] - [ -0.22200297606935, 0.00000000000000 ] - [ 0.67103143682082, 0.00000000000000 ] - # atom 2 - [ 0.02077678710554, 0.00000000000000 ] - [ 0.22200289357807, 0.00000000000000 ] - [ -0.67103118748076, 0.00000000000000 ] - # 5 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.05442284940885, 0.00000000000000 ] - [ 0.66882578001254, 0.00000000000000 ] - [ 0.22295832624401, 0.00000000000000 ] - # atom 2 - [ -0.05442282918656, 0.00000000000000 ] - [ -0.66882553149205, 0.00000000000000 ] - [ -0.22295824339775, 0.00000000000000 ] - # 6 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.70470324537900, 0.00000000000000 ] - [ 0.05819742602266, 0.00000000000000 ] - [ -0.00256541328944, 0.00000000000000 ] - # atom 2 - [ 0.70470298352725, 0.00000000000000 ] - [ -0.05819740439782, 0.00000000000000 ] - [ 0.00256541233619, 0.00000000000000 ] - q-position: [ 0.3333333, 0.0000000, 0.5000000 ] dynamical_matrix: - [ -0.1072503144, 0.0000000000, -0.3924591309, 0.0000000000, 0.5783362595, 0.0000000000, -0.4269054457, 0.0000000000, 0.2033764217, 0.0000000000, -0.5257282027, 0.0000000000 ] - [ -0.2714895011, 0.0074752007, -0.5157008220, 0.0050475904, -0.4003014284, 0.0048115443, 0.5421286164, 0.0108710312, -0.0311222583, 0.0216452103, -0.4522625777, -0.0004541834 ] - [ 0.6396308885, 0.0748792168, -0.2804542145, -0.0367161620, -0.0716991243, -0.0110295237, -0.1259590183, -0.0886838301, -0.5942697623, -0.3225596722, -0.1276094123, -0.0527676122 ] - [ -0.1035959256, 0.0277584446, -0.3790866920, 0.1015759730, 0.5586303445, -0.1496845497, 0.4123586889, -0.1104911777, -0.1964463922, 0.0526376522, 0.5078140712, -0.1360683703 ] - [ -0.2603041899, 0.0774872005, -0.4968226993, 0.1383488950, -0.3854164551, 0.1082533089, -0.5264692704, 0.1298125045, 0.0244595822, -0.0289626793, 0.4369693307, -0.1166153744 ] - [ 0.6372166354, -0.0932209557, -0.2804010192, 0.0371218305, -0.0721107403, 0.0079034030, 0.1446200256, 0.0530613696, 0.6575046089, 0.1577602683, 0.1369183882, 0.0179418399 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10725031444698, 0.00000000000000 ] - [ -0.27148950114521, 0.00747520071284 ] - [ 0.63963088848544, 0.07487921681739 ] - # atom 2 - [ -0.10359592558973, 0.02775844460098 ] - [ -0.26030418985824, 0.07748720045209 ] - [ 0.63721663542538, -0.09322095567757 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.39245913090475, 0.00000000000000 ] - [ -0.51570082202463, 0.00504759037341 ] - [ -0.28045421451213, -0.03671616195923 ] - # atom 2 - [ -0.37908669202380, 0.10157597298938 ] - [ -0.49682269932754, 0.13834889503207 ] - [ -0.28040101924826, 0.03712183050378 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.57833625949193, 0.00000000000000 ] - [ -0.40030142842663, 0.00481154434370 ] - [ -0.07169912431631, -0.01102952367031 ] - # atom 2 - [ 0.55863034447125, -0.14968454966891 ] - [ -0.38541645512910, 0.10825330885361 ] - [ -0.07211074027314, 0.00790340299890 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.42690544569289, 0.00000000000000 ] - [ 0.54212861636465, 0.01087103121297 ] - [ -0.12595901833022, -0.08868383006698 ] - # atom 2 - [ 0.41235868893170, -0.11049117769144 ] - [ -0.52646927038642, 0.12981250453271 ] - [ 0.14462002559807, 0.05306136955674 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.20337642173954, 0.00000000000000 ] - [ -0.03112225830955, 0.02164521029063 ] - [ -0.59426976232223, -0.32255967224142 ] - # atom 2 - [ -0.19644639222632, 0.05263765215316 ] - [ 0.02445958223789, -0.02896267928854 ] - [ 0.65750460894001, 0.15776026827910 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.52572820268231, 0.00000000000000 ] - [ -0.45226257771671, -0.00045418337306 ] - [ -0.12760941225430, -0.05276761222986 ] - # atom 2 - [ 0.50781407119471, -0.13606837028207 ] - [ 0.43696933065151, -0.11661537438726 ] - [ 0.13691838823208, 0.01794183988504 ] - q-position: [ 0.3333333, 0.0000000, 0.6666667 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, -0.5594580618, 0.0000000000, 0.4324422568, 0.0000000000, 0.1114580018, 0.0000000000, 0.0914163194, 0.0000000000, 0.6922575691, 0.0000000000 ] - [ 0.3687961921, 0.0115806503, 0.3688849850, -0.0032069854, 0.4772329149, -0.0041489327, 0.3246258803, -0.1666504663, 0.5765224700, 0.1337810474, -0.1283997722, 0.0091653126 ] - [ -0.5961072742, -0.0922550991, 0.2242034695, 0.0255478535, 0.2900559243, 0.0330517020, -0.3675145215, -0.4683548033, -0.0028375108, 0.3759785228, 0.0595469531, 0.0257582128 ] - [ -0.0000000000, 0.0000000000, -0.0000000000, 0.5594584776, 0.0000000000, -0.4324425782, -0.0000000000, 0.1114579189, 0.0000000000, 0.0914162515, -0.0000000000, 0.6922570546 ] - [ 0.0115806589, -0.3687964662, -0.0032069878, -0.3688852592, -0.0041489358, -0.4772332696, 0.1666503425, 0.3246256390, -0.1337809480, 0.5765220416, -0.0091653058, -0.1283996768 ] - [ -0.0922551677, 0.5961077172, 0.0255478725, -0.2242036361, 0.0330517265, -0.2900561398, 0.4683544553, -0.3675142484, -0.3759782434, -0.0028375087, -0.0257581936, 0.0595469088 ] band: - # 1 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.36879619210861, 0.01158065028725 ] - [ -0.59610727418210, -0.09225509912687 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01158065889347, -0.36879646618137 ] - [ -0.09225516768671, 0.59610771718224 ] - # 2 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.55945806182241, 0.00000000000000 ] - [ 0.36888498501947, -0.00320698540644 ] - [ 0.22420346950844, 0.02554785346516 ] - # atom 2 - [ -0.00000000000000, 0.55945847758651 ] - [ -0.00320698778973, -0.36888525915822 ] - [ 0.02554787245117, -0.22420363612639 ] - # 3 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.43244225682108, 0.00000000000000 ] - [ 0.47723291491324, -0.00414893274531 ] - [ 0.29005592429176, 0.03305170195070 ] - # atom 2 - [ 0.00000000000000, -0.43244257819274 ] - [ -0.00414893582861, -0.47723326957129 ] - [ 0.03305172651324, -0.29005613984829 ] - # 4 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.11145800175078, 0.00000000000000 ] - [ 0.32462588026706, -0.16665046631693 ] - [ -0.36751452153582, -0.46835480334956 ] - # atom 2 - [ -0.00000000000000, 0.11145791892026 ] - [ 0.16665034246988, 0.32462563901987 ] - [ 0.46835445528957, -0.36751424841574 ] - # 5 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.09141631938728, 0.00000000000000 ] - [ 0.57652246999734, 0.13378104740420 ] - [ -0.00283751083948, 0.37597852279474 ] - # atom 2 - [ 0.00000000000000, 0.09141625145082 ] - [ -0.13378094798421, 0.57652204155206 ] - [ -0.37597824338461, -0.00283750873077 ] - # 6 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.69225756909752, 0.00000000000000 ] - [ -0.12839977220943, 0.00916531258347 ] - [ 0.05954695307367, 0.02575821278835 ] - # atom 2 - [ -0.00000000000000, 0.69225705464318 ] - [ -0.00916530577223, -0.12839967678855 ] - [ -0.02575819364602, 0.05954690882108 ] - q-position: [ 0.3333333, 0.0000000, 0.8333333 ] dynamical_matrix: - [ -0.1466510297, 0.0000000000, -0.2135794023, 0.0000000000, 0.6579339850, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6440821288, 0.0115501312, 0.1996152315, 0.0391158829, 0.2083628637, 0.0152723309, 0.6510051324, 0.1322152389, -0.0000000000, -0.0000000000, -0.2155564978, -0.1106663015 ] - [ -0.1862928235, 0.1697441586, 0.5314346825, -0.3613648272, 0.1309910560, -0.0794713898, 0.2024123154, -0.1331949272, 0.0000000000, -0.0000000000, 0.6330218588, -0.2014246214 ] - [ 0.0379560936, 0.1416540697, 0.0552784375, 0.2063019373, -0.1702859090, -0.6355156642, 0.0000000000, 0.0000000000, 0.1830126679, 0.6830125750, -0.0000000000, -0.0000000000 ] - [ -0.1555442093, -0.6251251887, -0.0138811872, -0.2029375183, -0.0391763531, -0.2052159176, 0.0407823977, 0.6630422459, 0.0000000000, 0.0000000000, 0.0511052928, -0.2368540467 ] - [ 0.2121764762, 0.1360120790, -0.4865972172, -0.4197985413, -0.1106664890, -0.1059589742, 0.1810445150, 0.1610418393, 0.0000000000, 0.0000000000, 0.3583992237, 0.5593194260 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.14665102967950, 0.00000000000000 ] - [ 0.64408212884300, 0.01155013119051 ] - [ -0.18629282354323, 0.16974415859195 ] - # atom 2 - [ 0.03795609356843, 0.14165406965480 ] - [ -0.15554420933685, -0.62512518870874 ] - [ 0.21217647618441, 0.13601207901344 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.21357940233065, 0.00000000000000 ] - [ 0.19961523147047, 0.03911588293437 ] - [ 0.53143468254860, -0.36136482723573 ] - # atom 2 - [ 0.05527843750478, 0.20630193733174 ] - [ -0.01388118721041, -0.20293751827440 ] - [ -0.48659721721912, -0.41979854132877 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.65793398499038, 0.00000000000000 ] - [ 0.20836286368237, 0.01527233090251 ] - [ 0.13099105601492, -0.07947138980136 ] - # atom 2 - [ -0.17028590900942, -0.63551566423889 ] - [ -0.03917635312356, -0.20521591762465 ] - [ -0.11066648901602, -0.10595897416839 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65100513235766, 0.13221523888122 ] - [ 0.20241231536194, -0.13319492719351 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.04078239769479, 0.66304224589472 ] - [ 0.18104451501364, 0.16104183925901 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.18301266788981, 0.68301257499636 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.21555649781750, -0.11066630150556 ] - [ 0.63302185875215, -0.20142462136096 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.05110529280401, -0.23685404673737 ] - [ 0.35839922366064, 0.55931942598331 ] - q-position: [ 0.3333333, 0.1666667, 0.0000000 ] dynamical_matrix: - [ -0.1115184027, 0.0000000000, -0.0906151320, 0.0000000000, -0.6923528026, 0.0000000000, 0.0787661729, 0.0000000000, 0.0786015343, 0.0000000000, -0.6982963764, 0.0000000000 ] - [ 0.6962459271, -0.0200893548, 0.0304578404, 0.0205746773, -0.1161317967, 0.0005430117, 0.3898163176, -0.0589442085, 0.5706874954, -0.0831828564, 0.1082079970, -0.0160119832 ] - [ 0.0482821965, 0.0083881944, -0.5690254318, -0.4082252050, 0.0666971536, 0.0520774130, -0.5816912646, -0.0003492501, 0.4015132933, 0.0023258326, -0.0204183128, 0.0002224054 ] - [ -0.1112321142, 0.0079861065, -0.0903825061, 0.0064891720, -0.6905754041, 0.0495810833, -0.0785639213, 0.0056406358, -0.0783997054, 0.0056288456, 0.6965033283, -0.0500066891 ] - [ 0.6930198862, -0.0698976611, 0.0318530526, 0.0183406976, -0.1157947783, 0.0088581006, -0.3845942311, 0.0867085422, -0.5632651895, 0.1238375731, -0.1067834895, 0.0237199044 ] - [ 0.0487589463, 0.0049090538, -0.5967986463, -0.3664279074, 0.0702553209, 0.0471673737, 0.5802226395, -0.0413079623, -0.4006488675, 0.0264334757, 0.0203499567, -0.0016840390 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.11151840267769, 0.00000000000000 ] - [ 0.69624592705483, -0.02008935476684 ] - [ 0.04828219651506, 0.00838819441015 ] - # atom 2 - [ -0.11123211418178, 0.00798610648781 ] - [ 0.69301988617691, -0.06989766111478 ] - [ 0.04875894631692, 0.00490905377435 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.09061513203595, 0.00000000000000 ] - [ 0.03045784037705, 0.02057467729279 ] - [ -0.56902543175628, -0.40822520504189 ] - # atom 2 - [ -0.09038250612637, 0.00648917197942 ] - [ 0.03185305256415, 0.01834069757219 ] - [ -0.59679864630307, -0.36642790737351 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.69235280259942, 0.00000000000000 ] - [ -0.11613179665254, 0.00054301167487 ] - [ 0.06669715356666, 0.05207741295757 ] - # atom 2 - [ -0.69057540409178, 0.04958108326456 ] - [ -0.11579477831702, 0.00885810061469 ] - [ 0.07025532090214, 0.04716737370041 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.07876617287297, 0.00000000000000 ] - [ 0.38981631758661, -0.05894420854574 ] - [ -0.58169126459018, -0.00034925006688 ] - # atom 2 - [ -0.07856392131190, 0.00564063576704 ] - [ -0.38459423106467, 0.08670854221326 ] - [ 0.58022263954867, -0.04130796227582 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.07860153425345, 0.00000000000000 ] - [ 0.57068749543259, -0.08318285644937 ] - [ 0.40151329331494, 0.00232583259315 ] - # atom 2 - [ -0.07839970544261, 0.00562884559808 ] - [ -0.56326518950096, 0.12383757305127 ] - [ -0.40064886746605, 0.02643347567156 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.69829637638112, 0.00000000000000 ] - [ 0.10820799697054, -0.01601198321925 ] - [ -0.02041831278230, 0.00022240544896 ] - # atom 2 - [ 0.69650332833701, -0.05000668907653 ] - [ -0.10678348950163, 0.02371990436414 ] - [ 0.02034995674102, -0.00168403903269 ] - q-position: [ 0.3333333, 0.1666667, 0.1666667 ] dynamical_matrix: - [ -0.3226516303, 0.0000000000, 0.6292025124, 0.0000000000, -0.0000000000, 0.0000000000, 0.0303219849, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064564396, 0.0000000000 ] - [ 0.6287834482, 0.0000000000, 0.3224367364, 0.0000000000, -0.0258031475, 0.0000000000, 0.5224825977, 0.0000000000, -0.4759297757, -0.0000000000, -0.0224255999, -0.0000000000 ] - [ 0.0229603331, -0.0000000000, 0.0117739341, -0.0000000000, 0.7066357433, -0.0000000000, -0.4754919938, 0.0000000000, -0.5229636435, -0.0000000000, 0.0204087050, -0.0000000000 ] - [ -0.3226517102, -0.0000000000, 0.6292026683, 0.0000000000, 0.0000000000, -0.0000000000, -0.0303219774, -0.0000000000, -0.0000000000, 0.0000000000, -0.7064562646, -0.0000000000 ] - [ 0.6287836040, 0.0000000000, 0.3224368163, 0.0000000000, -0.0258031539, 0.0000000000, -0.5224824683, -0.0000000000, 0.4759296578, 0.0000000000, 0.0224255943, 0.0000000000 ] - [ 0.0229603388, 0.0000000000, 0.0117739370, 0.0000000000, 0.7066359184, -0.0000000000, 0.4754918760, 0.0000000000, 0.5229635140, 0.0000000000, -0.0204087000, -0.0000000000 ] band: - # 1 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.32265163025033, 0.00000000000000 ] - [ 0.62878344820757, 0.00000000000006 ] - [ 0.02296033313940, -0.00000000000000 ] - # atom 2 - [ -0.32265171017704, -0.00000000000017 ] - [ 0.62878360396873, 0.00000000000039 ] - [ 0.02296033882709, 0.00000000000001 ] - # 2 frequency: 455.6935390447 eigenvector: - # atom 1 - [ 0.62920251242161, 0.00000000000000 ] - [ 0.32243673639792, 0.00000000000003 ] - [ 0.01177393410272, -0.00000000000000 ] - # atom 2 - [ 0.62920266828659, 0.00000000000033 ] - [ 0.32243681627140, 0.00000000000020 ] - [ 0.01177393701934, 0.00000000000001 ] - # 3 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.02580314752365, 0.00000000000029 ] - [ 0.70663574330679, -0.00000000000810 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02580315391556, 0.00000000000028 ] - [ 0.70663591835339, -0.00000000000773 ] - # 4 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.03032198494278, 0.00000000000000 ] - [ 0.52248259771772, 0.00000000000028 ] - [ -0.47549199380263, 0.00000000000000 ] - # atom 2 - [ -0.03032197743147, -0.00000000000002 ] - [ -0.52248246828926, -0.00000000000055 ] - [ 0.47549187601460, 0.00000000000025 ] - # 5 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.47592977571325, -0.00000000000072 ] - [ -0.52296364352474, -0.00000000000051 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.47592965781676, 0.00000000000097 ] - [ 0.52296351397711, 0.00000000000079 ] - # 6 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.70645643962545, 0.00000000000000 ] - [ -0.02242559989864, -0.00000000000001 ] - [ 0.02040870500683, -0.00000000000000 ] - # atom 2 - [ -0.70645626462331, -0.00000000000037 ] - [ 0.02242559434341, 0.00000000000002 ] - [ -0.02040869995123, -0.00000000000001 ] - q-position: [ 0.3333333, 0.1666667, 0.3333333 ] dynamical_matrix: - [ -0.5220424820, 0.0000000000, -0.3875333060, 0.0000000000, 0.2780097899, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.3323637109, -0.0066786302, -0.0000896778, 0.0006581190, 0.6239824268, -0.0116236398, 0.6667279805, -0.0322276620, -0.0000000000, 0.0000000000, 0.2331617868, -0.0084201804 ] - [ 0.3419276870, 0.0068354244, -0.5913223559, -0.0124589946, -0.1822105945, -0.0045318312, -0.2333072955, 0.0017390009, 0.0000000000, -0.0000000000, 0.6674988954, 0.0031696746 ] - [ -0.5207023018, -0.0373847433, -0.3865384358, -0.0277522111, 0.2772960871, 0.0199089633, 0.0000000000, -0.0000000000, -0.7052912093, -0.0506376305, 0.0000000000, 0.0000000000 ] - [ 0.3319887444, 0.0171398961, -0.0001365771, 0.0006500074, 0.6232129452, 0.0330911132, -0.6673238928, -0.0156010905, -0.0000000000, -0.0000000000, -0.2331660759, -0.0082987189 ] - [ 0.3405603934, 0.0313041574, -0.5889121022, -0.0547730551, -0.1814182905, -0.0175687450, 0.2328327556, 0.0149731630, -0.0000000000, -0.0000000000, -0.6655579394, -0.0509627428 ] band: - # 1 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.52204248200305, 0.00000000000000 ] - [ 0.33236371085550, -0.00667863015714 ] - [ 0.34192768697395, 0.00683542443935 ] - # atom 2 - [ -0.52070230178717, -0.03738474325646 ] - [ 0.33198874444418, 0.01713989610225 ] - [ 0.34056039344198, 0.03130415740565 ] - # 2 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.38753330596970, 0.00000000000000 ] - [ -0.00008967778651, 0.00065811895835 ] - [ -0.59132235592032, -0.01245899463512 ] - # atom 2 - [ -0.38653843584406, -0.02775221106799 ] - [ -0.00013657708060, 0.00065000739813 ] - [ -0.58891210219259, -0.05477305512118 ] - # 3 frequency: 530.3005566342 eigenvector: - # atom 1 - [ 0.27800978994495, 0.00000000000000 ] - [ 0.62398242683476, -0.01162363975959 ] - [ -0.18221059452682, -0.00453183120059 ] - # atom 2 - [ 0.27729608706990, 0.01990896330888 ] - [ 0.62321294517525, 0.03309111315906 ] - [ -0.18141829046329, -0.01756874497504 ] - # 4 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66672798049699, -0.03222766200071 ] - [ -0.23330729552077, 0.00173900092439 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.66732389275719, -0.01560109051130 ] - [ 0.23283275559389, 0.01497316298399 ] - # 5 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529120930994, -0.05063763054359 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.23316178681377, -0.00842018035675 ] - [ 0.66749889538362, 0.00316967463228 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23316607590270, -0.00829871889669 ] - [ -0.66555793941064, -0.05096274283456 ] - q-position: [ 0.3333333, 0.1666667, 0.5000000 ] dynamical_matrix: - [ -0.5483717984, 0.0000000000, -0.3828184086, 0.0000000000, 0.2296480398, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450567072, 0.0000000000, -0.4404400473, -0.0000000000, 0.3285374828, 0.0000000000, 0.7013257533, -0.0000000000, -0.0000000000, -0.0000000000, -0.0902352606, -0.0000000000 ] - [ 0.0348236062, -0.0000000000, -0.3993274549, -0.0000000000, -0.5825158244, -0.0000000000, 0.0902352606, -0.0000000000, 0.0000000000, 0.0000000000, 0.7013257533, -0.0000000000 ] - [ -0.5483720337, -0.0000000000, -0.3828185729, -0.0000000000, 0.2296481383, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066295, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450568981, 0.0000000000, -0.4404402363, -0.0000000000, 0.3285376237, 0.0000000000, -0.7013254524, -0.0000000000, -0.0000000000, -0.0000000000, 0.0902352219, 0.0000000000 ] - [ 0.0348236212, 0.0000000000, -0.3993276262, -0.0000000000, -0.5825160744, -0.0000000000, -0.0902352219, 0.0000000000, -0.0000000000, -0.0000000000, -0.7013254524, -0.0000000000 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.54837179843291, 0.00000000000000 ] - [ 0.44505670717734, 0.00000000000000 ] - [ 0.03482360621193, -0.00000000000000 ] - # atom 2 - [ -0.54837203371771, -0.00000000000000 ] - [ 0.44505689813369, 0.00000000000000 ] - [ 0.03482362115337, 0.00000000000000 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.38281840861924, 0.00000000000000 ] - [ -0.44044004732164, -0.00000000000000 ] - [ -0.39932745486285, -0.00000000000000 ] - # atom 2 - [ -0.38281857287157, -0.00000000000000 ] - [ -0.44044023629716, -0.00000000000000 ] - [ -0.39932762619857, -0.00000000000000 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.22964803978127, 0.00000000000000 ] - [ 0.32853748276485, 0.00000000000000 ] - [ -0.58251582443127, -0.00000000000000 ] - # atom 2 - [ 0.22964813831422, 0.00000000000000 ] - [ 0.32853762372738, 0.00000000000000 ] - [ -0.58251607436593, -0.00000000000000 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70132575332383, -0.00000000000000 ] - [ 0.09023526059736, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70132545241263, -0.00000000000000 ] - [ -0.09023522188097, 0.00000000000000 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710662949069, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09023526059736, -0.00000000000000 ] - [ 0.70132575332383, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09023522188097, 0.00000000000000 ] - [ -0.70132545241263, -0.00000000000000 ] - q-position: [ 0.3333333, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.6682917038, 0.0000000000, -0.2049982437, 0.0000000000, -0.1065905584, 0.0000000000, 0.1816756629, 0.0000000000, 0.6833698304, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1912168382, 0.0121298316, -0.3119437657, 0.0669417426, -0.5989339345, -0.0526939151, -0.2033019468, 0.0391274504, 0.0540483561, -0.0104021354, -0.6699529255, 0.0726042770 ] - [ -0.1144944021, -0.0597147127, -0.4932420832, -0.3360022114, 0.2307718628, 0.2718159710, -0.6511951282, 0.0087516352, 0.1731219339, -0.0023266452, 0.2137183338, 0.0147153652 ] - [ 0.4725539467, -0.4725539467, -0.1449557560, 0.1449557560, -0.0753709627, 0.0753709627, -0.1284639978, 0.1284639978, -0.4832150820, 0.4832150820, 0.0000000000, 0.0000000000 ] - [ -0.1266337309, 0.1437879160, -0.1732427207, 0.2679127113, -0.4607708136, 0.3862503089, 0.1160888134, -0.1714233433, -0.0308625157, 0.0455733457, 0.4223889662, -0.5250668431 ] - [ -0.1231845380, 0.0387351186, -0.5863646997, 0.1111854623, 0.3553835295, 0.0290225888, 0.4542758128, -0.4666524848, -0.1207704171, 0.1240607878, -0.1615268976, 0.1407162440 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.66829170379209, 0.00000000000000 ] - [ -0.19121683822778, 0.01212983159866 ] - [ -0.11449440211560, -0.05971471270147 ] - # atom 2 - [ 0.47255394674196, -0.47255394674344 ] - [ -0.12663373091806, 0.14378791602281 ] - [ -0.12318453797674, 0.03873511864239 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.20499824372004, 0.00000000000000 ] - [ -0.31194376566688, 0.06694174255842 ] - [ -0.49324208317218, -0.33600221137231 ] - # atom 2 - [ -0.14495575599007, 0.14495575599053 ] - [ -0.17324272069011, 0.26791271126024 ] - [ -0.58636469969206, 0.11118546225149 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10659055838567, 0.00000000000000 ] - [ -0.59893393447536, -0.05269391506455 ] - [ 0.23077186279125, 0.27181597097765 ] - # atom 2 - [ -0.07537096265712, 0.07537096265735 ] - [ -0.46077081364298, 0.38625030892524 ] - [ 0.35538352950477, 0.02902258879407 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.18167566294301, 0.00000000000000 ] - [ -0.20330194681128, 0.03912745040786 ] - [ -0.65119512820658, 0.00875163521613 ] - # atom 2 - [ -0.12846399777469, 0.12846399777509 ] - [ 0.11608881343249, -0.17142334333868 ] - [ 0.45427581282461, -0.46665248484386 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.68336983037856, 0.00000000000000 ] - [ 0.05404835613548, -0.01040213538280 ] - [ 0.17312193392654, -0.00232664519129 ] - # atom 2 - [ -0.48321508201448, 0.48321508201600 ] - [ -0.03086251573168, 0.04557334573537 ] - [ -0.12077041710806, 0.12406078784755 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.66995292548849, 0.07260427695843 ] - [ 0.21371833379847, 0.01471536518580 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.42238896620690, -0.52506684306371 ] - [ -0.16152689756355, 0.14071624400854 ] - q-position: [ 0.3333333, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.4559292803, 0.0000000000, -0.3597363686, 0.0000000000, 0.4033832197, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000 ] - [ -0.5399640997, 0.0018558259, -0.2887597576, 0.0192058530, 0.3527862583, 0.0150301702, 0.6909737063, -0.0361556076, -0.1412129450, -0.0361556076, -0.0000000000, -0.0000000000 ] - [ 0.0052411136, -0.0231545797, 0.4789760195, -0.2396256266, 0.4212260413, -0.1875268930, 0.1352920150, -0.0542622749, 0.6897880082, -0.0542622749, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.4559294759, -0.0000000000, 0.3597365230, 0.0000000000, -0.4033833928, -0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.7071066295 ] - [ 0.0018558267, 0.5399643313, 0.0192058613, 0.2887598815, 0.0150301766, -0.3527864097, 0.0361555921, 0.6909734098, 0.0361555921, -0.1412128844, -0.0000000000, 0.0000000000 ] - [ -0.0231545896, -0.0052411159, -0.2396257294, -0.4789762250, -0.1875269735, -0.4212262220, 0.0542622516, 0.1352919570, 0.0542622516, 0.6897877122, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.45592928028427, 0.00000000000000 ] - [ -0.53996409966382, 0.00185582594442 ] - [ 0.00524111361128, -0.02315457971059 ] - # atom 2 - [ 0.00000000000072, -0.45592947590561 ] - [ 0.00185582673983, 0.53996433134120 ] - [ -0.02315458964530, -0.00524111586007 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.35973636863203, 0.00000000000000 ] - [ -0.28875975756904, 0.01920585302929 ] - [ 0.47897601948672, -0.23962562660925 ] - # atom 2 - [ -0.00000000000057, 0.35973652298077 ] - [ 0.01920586126931, 0.28875988146454 ] - [ -0.23962572942244, -0.47897622499689 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.40338321969636, 0.00000000000000 ] - [ 0.35278625831595, 0.01503017017572 ] - [ 0.42122604128947, -0.18752689301700 ] - # atom 2 - [ 0.00000000000063, -0.40338339277225 ] - [ 0.01503017662513, -0.35278640968265 ] - [ -0.18752697347676, -0.42122622202131 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69097370627449, -0.03615560759576 ] - [ 0.13529201502646, -0.05426227489763 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03615559208173, 0.69097340980500 ] - [ 0.05426225161562, 0.13529195697808 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.14121294503840, -0.03615560759506 ] - [ 0.68978800819256, -0.05426227489763 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.03615559208234, -0.14121288444944 ] - [ 0.05426225161475, 0.68978771223184 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710662949069 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.3333333, 0.0000000 ] dynamical_matrix: - [ -0.1872854841, 0.0000000000, 0.0350804043, 0.0000000000, 0.6809503116, 0.0000000000, -0.0207767948, 0.0000000000, 0.0544228494, 0.0000000000, -0.7047032454, 0.0000000000 ] - [ 0.6810025056, 0.0000000000, -0.0256429955, 0.0000000000, 0.1886208853, 0.0000000000, -0.2220029761, 0.0000000000, 0.6688257800, 0.0000000000, 0.0581974260, 0.0000000000 ] - [ 0.0340521514, 0.0000000000, 0.7057702291, 0.0000000000, -0.0269934986, 0.0000000000, 0.6710314368, 0.0000000000, 0.2229583262, 0.0000000000, -0.0025654133, 0.0000000000 ] - [ -0.1872855537, 0.0000000000, 0.0350804173, 0.0000000000, 0.6809505646, 0.0000000000, 0.0207767871, 0.0000000000, -0.0544228292, 0.0000000000, 0.7047029835, 0.0000000000 ] - [ 0.6810027586, 0.0000000000, -0.0256430051, 0.0000000000, 0.1886209553, 0.0000000000, 0.2220028936, 0.0000000000, -0.6688255315, 0.0000000000, -0.0581974044, 0.0000000000 ] - [ 0.0340521641, 0.0000000000, 0.7057704913, 0.0000000000, -0.0269935087, 0.0000000000, -0.6710311875, 0.0000000000, -0.2229582434, 0.0000000000, 0.0025654123, 0.0000000000 ] band: - # 1 frequency: 644.4479832027 eigenvector: - # atom 1 - [ -0.18728548410975, 0.00000000000000 ] - [ 0.68100250560192, 0.00000000000000 ] - [ 0.03405215142971, 0.00000000000000 ] - # atom 2 - [ -0.18728555370082, 0.00000000000000 ] - [ 0.68100275864710, 0.00000000000000 ] - [ 0.03405216408272, 0.00000000000000 ] - # 2 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.03508040429902, 0.00000000000000 ] - [ -0.02564299553809, 0.00000000000000 ] - [ 0.70577022905855, 0.00000000000000 ] - # atom 2 - [ 0.03508041733411, 0.00000000000000 ] - [ -0.02564300506645, 0.00000000000000 ] - [ 0.70577049130686, 0.00000000000000 ] - # 3 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.68095031161407, 0.00000000000000 ] - [ 0.18862088525677, 0.00000000000000 ] - [ -0.02699349864240, 0.00000000000000 ] - # atom 2 - [ 0.68095056463986, 0.00000000000000 ] - [ 0.18862095534404, 0.00000000000000 ] - [ -0.02699350867257, 0.00000000000000 ] - # 4 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.02077679482572, 0.00000000000000 ] - [ -0.22200297606935, 0.00000000000000 ] - [ 0.67103143682082, 0.00000000000000 ] - # atom 2 - [ 0.02077678710554, 0.00000000000000 ] - [ 0.22200289357807, 0.00000000000000 ] - [ -0.67103118748076, 0.00000000000000 ] - # 5 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.05442284940885, 0.00000000000000 ] - [ 0.66882578001254, 0.00000000000000 ] - [ 0.22295832624401, 0.00000000000000 ] - # atom 2 - [ -0.05442282918656, 0.00000000000000 ] - [ -0.66882553149205, 0.00000000000000 ] - [ -0.22295824339775, 0.00000000000000 ] - # 6 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.70470324537900, 0.00000000000000 ] - [ 0.05819742602266, 0.00000000000000 ] - [ -0.00256541328944, 0.00000000000000 ] - # atom 2 - [ 0.70470298352725, 0.00000000000000 ] - [ -0.05819740439782, 0.00000000000000 ] - [ 0.00256541233619, 0.00000000000000 ] - q-position: [ 0.3333333, 0.3333333, 0.1666667 ] dynamical_matrix: - [ -0.5220424820, 0.0000000000, -0.3875333060, 0.0000000000, 0.2780097899, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.3323637109, -0.0066786302, -0.0000896778, 0.0006581190, 0.6239824268, -0.0116236398, 0.6667279805, -0.0322276620, -0.0000000000, 0.0000000000, 0.2331617868, -0.0084201804 ] - [ 0.3419276870, 0.0068354244, -0.5913223559, -0.0124589946, -0.1822105945, -0.0045318312, -0.2333072955, 0.0017390009, 0.0000000000, -0.0000000000, 0.6674988954, 0.0031696746 ] - [ -0.5207023018, -0.0373847433, -0.3865384358, -0.0277522111, 0.2772960871, 0.0199089633, 0.0000000000, -0.0000000000, -0.7052912093, -0.0506376305, 0.0000000000, 0.0000000000 ] - [ 0.3319887444, 0.0171398961, -0.0001365771, 0.0006500074, 0.6232129452, 0.0330911132, -0.6673238928, -0.0156010905, -0.0000000000, -0.0000000000, -0.2331660759, -0.0082987189 ] - [ 0.3405603934, 0.0313041574, -0.5889121022, -0.0547730551, -0.1814182905, -0.0175687450, 0.2328327556, 0.0149731630, -0.0000000000, -0.0000000000, -0.6655579394, -0.0509627428 ] band: - # 1 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.52204248200305, 0.00000000000000 ] - [ 0.33236371085550, -0.00667863015714 ] - [ 0.34192768697395, 0.00683542443935 ] - # atom 2 - [ -0.52070230178717, -0.03738474325646 ] - [ 0.33198874444418, 0.01713989610225 ] - [ 0.34056039344198, 0.03130415740565 ] - # 2 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.38753330596970, 0.00000000000000 ] - [ -0.00008967778651, 0.00065811895835 ] - [ -0.59132235592032, -0.01245899463512 ] - # atom 2 - [ -0.38653843584406, -0.02775221106799 ] - [ -0.00013657708060, 0.00065000739813 ] - [ -0.58891210219259, -0.05477305512118 ] - # 3 frequency: 530.3005566342 eigenvector: - # atom 1 - [ 0.27800978994495, 0.00000000000000 ] - [ 0.62398242683476, -0.01162363975959 ] - [ -0.18221059452682, -0.00453183120059 ] - # atom 2 - [ 0.27729608706990, 0.01990896330888 ] - [ 0.62321294517525, 0.03309111315906 ] - [ -0.18141829046329, -0.01756874497504 ] - # 4 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66672798049699, -0.03222766200071 ] - [ -0.23330729552077, 0.00173900092439 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.66732389275719, -0.01560109051130 ] - [ 0.23283275559389, 0.01497316298399 ] - # 5 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529120930994, -0.05063763054359 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.23316178681377, -0.00842018035675 ] - [ 0.66749889538362, 0.00316967463228 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23316607590270, -0.00829871889669 ] - [ -0.66555793941064, -0.05096274283456 ] - q-position: [ 0.3333333, 0.3333333, 0.3333333 ] dynamical_matrix: - [ 0.3041915033, 0.0000000000, -0.5301042281, 0.0000000000, -0.3556077843, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6254187928, 0.0509955094, -0.1754428699, 0.0146053905, -0.2734587935, 0.0218499757, 0.6996645009, 0.0463835210, -0.0000000000, 0.0000000000, -0.0877928670, -0.0247125101 ] - [ 0.1170965136, -0.0025665234, 0.4335129252, -0.0078989022, -0.5460714827, 0.0095794496, 0.0882093178, -0.0231821464, 0.0000000000, -0.0000000000, 0.7003652734, -0.0342100655 ] - [ 0.2987102103, 0.0574868068, -0.5205521643, -0.1001803107, -0.3492000101, -0.0672035733, 0.0000000000, 0.0000000000, -0.6943649773, -0.1336306022, -0.0000000000, -0.0000000000 ] - [ -0.6237864833, -0.0681164652, -0.1750416867, -0.0188133825, -0.2726605383, -0.0302226127, -0.6782910486, -0.1777718256, -0.0000000000, -0.0000000000, 0.0815406356, 0.0408584840 ] - [ 0.1154715534, 0.0196088906, 0.4271941138, 0.0741696950, -0.5380420479, -0.0937910036, -0.0910008188, 0.0060944199, -0.0000000000, -0.0000000000, -0.6942099453, -0.0987629505 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.30419150330821, 0.00000000000000 ] - [ -0.62541879277960, 0.05099550941163 ] - [ 0.11709651355953, -0.00256652336661 ] - # atom 2 - [ 0.29871021026192, 0.05748680676793 ] - [ -0.62378648326766, -0.06811646520513 ] - [ 0.11547155340351, 0.01960889061279 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.53010422805336, 0.00000000000000 ] - [ -0.17544286987517, 0.01460539045046 ] - [ 0.43351292515959, -0.00789890221625 ] - # atom 2 - [ -0.52055216434535, -0.10018031073698 ] - [ -0.17504168666412, -0.01881338250632 ] - [ 0.42719411383230, 0.07416969498762 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.35560778432423, 0.00000000000000 ] - [ -0.27345879352721, 0.02184997568177 ] - [ -0.54607148271536, 0.00957944963753 ] - # atom 2 - [ -0.34920001009575, -0.06720357327636 ] - [ -0.27266053831342, -0.03022261270413 ] - [ -0.53804204788840, -0.09379100363631 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69966450086974, 0.04638352096588 ] - [ 0.08820931775611, -0.02318214635362 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67829104858613, -0.17777182563416 ] - [ -0.09100081879354, 0.00609441994606 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.69436497731074, -0.13363060218825 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.08779286699442, -0.02471251005987 ] - [ 0.70036527341919, -0.03421006552109 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.08154063563545, 0.04085848401178 ] - [ -0.69420994531966, -0.09876295054649 ] - q-position: [ 0.3333333, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.6657726617, 0.0000000000, 0.2377082393, 0.0000000000, -0.0155360913, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.2280886546, 0.0143733890, 0.6231489312, 0.0390048868, -0.2399287798, -0.0191571015, 0.6878626934, -0.1113334325, -0.0000000000, 0.0000000000, -0.1201207720, -0.0045790612 ] - [ -0.0669684905, 0.0055470509, -0.2309249711, 0.0182289123, -0.6634215747, 0.0412000541, 0.1142556052, -0.0373580558, 0.0000000000, 0.0000000000, 0.6920139794, -0.0816509061 ] - [ -0.6430872473, -0.1723147086, 0.2296086128, 0.0615234424, -0.0150067174, -0.0040210378, 0.0000000000, 0.0000000000, -0.6830125750, -0.1830126679, 0.0000000000, 0.0000000000 ] - [ 0.2165966959, 0.0729173425, 0.5918206586, 0.1989587128, -0.2267952664, -0.0806025067, -0.6932392956, -0.0704921015, -0.0000000000, -0.0000000000, 0.1148425650, 0.0355125637 ] - [ -0.0661223015, -0.0119746855, -0.2277744679, -0.0421600190, -0.6514796334, -0.1319099912, -0.1200313716, 0.0065135819, -0.0000000000, -0.0000000000, -0.6895667282, -0.1002376412 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.66577266167930, 0.00000000000000 ] - [ 0.22808865462775, 0.01437338899453 ] - [ -0.06696849047738, 0.00554705091552 ] - # atom 2 - [ -0.64308724731007, -0.17231470857877 ] - [ 0.21659669585652, 0.07291734252479 ] - [ -0.06612230149034, -0.01197468546772 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.23770823931674, 0.00000000000000 ] - [ 0.62314893118370, 0.03900488681968 ] - [ -0.23092497114067, 0.01822891232965 ] - # atom 2 - [ 0.22960861279516, 0.06152344237344 ] - [ 0.59182065860110, 0.19895871278416 ] - [ -0.22777446787812, -0.04216001898205 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.01553609129410, 0.00000000000000 ] - [ -0.23992877976965, -0.01915710148403 ] - [ -0.66342157465713, 0.04120005411445 ] - # atom 2 - [ -0.01500671739672, -0.00402103780748 ] - [ -0.22679526640856, -0.08060250670268 ] - [ -0.65147963341796, -0.13190999115360 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68786269338409, -0.11133343246232 ] - [ 0.11425560519541, -0.03735805584714 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69323929556630, -0.07049210152455 ] - [ -0.12003137159682, 0.00651358190824 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301257499636, -0.18301266788981 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12012077195097, -0.00457906116491 ] - [ 0.69201397938628, -0.08165090610281 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.11484256499018, 0.03551256373688 ] - [ -0.68956672816422, -0.10023764115098 ] - q-position: [ 0.3333333, 0.3333333, 0.6666667 ] dynamical_matrix: - [ -0.2565963892, 0.0000000000, 0.0000000000, 0.0000000000, 0.6589066106, 0.0000000000, 0.0000000000, 0.0000000000, -0.0688570867, 0.0000000000, 0.7037464552, 0.0000000000 ] - [ 0.6537758331, -0.0000000000, 0.0880708942, 0.0000000000, 0.2545983230, -0.0000000000, 0.2370446689, -0.0000000000, -0.6630246802, 0.0000000000, -0.0648727216, 0.0000000000 ] - [ 0.0820675427, 0.0000000000, -0.7016004176, -0.0000000000, 0.0319593624, 0.0000000000, 0.6661908109, -0.0000000000, 0.2359180932, -0.0000000000, 0.0230830755, -0.0000000000 ] - [ -0.2565965799, 0.0000000000, -0.0000000000, -0.0000000000, 0.6589071003, -0.0000000000, 0.0000000000, -0.0000000000, 0.0688570355, -0.0000000000, -0.7037459322, 0.0000000000 ] - [ 0.6537763189, -0.0000000000, 0.0880709597, 0.0000000000, 0.2545985122, -0.0000000000, -0.2370444927, 0.0000000000, 0.6630241874, -0.0000000000, 0.0648726734, -0.0000000000 ] - [ 0.0820676037, -0.0000000000, -0.7016009390, -0.0000000000, 0.0319593861, -0.0000000000, -0.6661903158, 0.0000000000, -0.2359179178, 0.0000000000, -0.0230830584, 0.0000000000 ] band: - # 1 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.25659638917556, 0.00000000000000 ] - [ 0.65377583307725, -0.00000000000073 ] - [ 0.08206754272438, 0.00000000000000 ] - # atom 2 - [ -0.25659657986647, 0.00000000000121 ] - [ 0.65377631893407, -0.00000000000381 ] - [ 0.08206760371329, -0.00000000000039 ] - # 2 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08807089423578, 0.00000000000043 ] - [ -0.70160041762467, -0.00000000000417 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.08807095968611, 0.00000000000001 ] - [ -0.70160093902258, -0.00000000000086 ] - # 3 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.65890661059415, 0.00000000000000 ] - [ 0.25459832304095, -0.00000000000028 ] - [ 0.03195936236335, 0.00000000000000 ] - # atom 2 - [ 0.65890710026393, -0.00000000000310 ] - [ 0.25459851224699, -0.00000000000148 ] - [ 0.03195938611411, -0.00000000000015 ] - # 4 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.23704466890792, -0.00000000000911 ] - [ 0.66619081089409, -0.00000000002553 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.23704449274711, 0.00000000001022 ] - [ -0.66619031581138, 0.00000000002867 ] - # 5 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.06885708668953, 0.00000000000000 ] - [ -0.66302468016595, 0.00000000000006 ] - [ 0.23591809316131, -0.00000000000000 ] - # atom 2 - [ 0.06885703551808, -0.00000000000032 ] - [ 0.66302418743616, -0.00000000000319 ] - [ -0.23591791783771, 0.00000000000111 ] - # 6 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.70374645518825, 0.00000000000000 ] - [ -0.06487272162142, 0.00000000000001 ] - [ 0.02308307554898, -0.00000000000000 ] - # atom 2 - [ -0.70374593219589, 0.00000000000332 ] - [ 0.06487267341096, -0.00000000000031 ] - [ -0.02308305839469, 0.00000000000011 ] - q-position: [ 0.3333333, 0.3333333, 0.8333333 ] dynamical_matrix: - [ -0.4009913670, 0.0000000000, -0.4778191414, 0.0000000000, -0.3330081383, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.3989918468, -0.0114921717, 0.0670957056, -0.0273573060, -0.5767183334, 0.0530921142, 0.7038073162, 0.0279908428, -0.0000000000, 0.0000000000, 0.0428786377, 0.0450951034 ] - [ 0.4085362405, -0.1139171995, -0.4902501845, 0.1615332698, 0.2115005868, -0.0946039183, -0.0480602687, 0.0395266554, 0.0000000000, 0.0000000000, 0.7019643477, 0.0580885551 ] - [ -0.1037842798, 0.3873282054, -0.1236687858, 0.4615381919, -0.0861889124, 0.3216614002, 0.0000000000, -0.0000000000, -0.1830126339, 0.6830124481, 0.0000000000, -0.0000000000 ] - [ 0.0921661718, -0.3883712109, -0.0090594887, -0.0718901201, -0.0979827169, 0.5708088072, -0.2091956600, 0.6725806004, -0.0000000000, 0.0000000000, -0.0546562924, 0.0297460898 ] - [ -0.0042986086, -0.4240999617, 0.0291430941, 0.5153535842, -0.0366400152, -0.2287793449, -0.0257408853, -0.0566528638, -0.0000000000, 0.0000000000, -0.2377908011, 0.6630105755 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.40099136703033, 0.00000000000000 ] - [ 0.39899184681564, -0.01149217174624 ] - [ 0.40853624051310, -0.11391719949316 ] - # atom 2 - [ -0.10378427983710, 0.38732820537821 ] - [ 0.09216617180058, -0.38837121085529 ] - [ -0.00429860858390, -0.42409996165203 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.47781914135145, 0.00000000000000 ] - [ 0.06709570556739, -0.02735730598764 ] - [ -0.49025018454588, 0.16153326975272 ] - # atom 2 - [ -0.12366878580155, 0.46153819192076 ] - [ -0.00905948867828, -0.07189012007840 ] - [ 0.02914309409113, 0.51535358421290 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.33300813826078, 0.00000000000000 ] - [ -0.57671833341426, 0.05309211422794 ] - [ 0.21150058683301, -0.09460391828393 ] - # atom 2 - [ -0.08618891240787, 0.32166140015461 ] - [ -0.09798271685894, 0.57080880724526 ] - [ -0.03664001524492, -0.22877934490892 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70380731623249, 0.02799084279312 ] - [ -0.04806026868202, 0.03952665542340 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.20919566001247, 0.67258060044504 ] - [ -0.02574088532314, -0.05665286384928 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301263388918, 0.68301244809999 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.04287863767175, 0.04509510335017 ] - [ 0.70196434768769, 0.05808855513827 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.05465629240452, 0.02974608982936 ] - [ -0.23779080106932, 0.66301057547363 ] - q-position: [ 0.3333333, 0.5000000, 0.0000000 ] dynamical_matrix: - [ -0.0674308917, 0.0000000000, -0.4419844049, 0.0000000000, -0.5478161088, 0.0000000000, -0.0212166438, 0.0000000000, 0.3738151761, 0.0000000000, 0.5998436794, 0.0000000000 ] - [ -0.1856714995, 0.0073283654, -0.5196005930, 0.0054439687, 0.4420741737, -0.0052943085, 0.0242653040, -0.0240956334, -0.5989817328, -0.0076517273, 0.3741362924, 0.0039161925 ] - [ 0.6722996260, 0.0945426120, -0.1836726211, -0.0299894895, 0.0654355910, 0.0125585829, 0.6086239901, 0.3577116993, 0.0167174595, 0.0338444539, 0.0111090915, -0.0084390800 ] - [ -0.0651332882, 0.0174524120, -0.4269244688, 0.1143940666, -0.5291501208, 0.1417853475, 0.0204936890, -0.0054912674, -0.3610774645, 0.0967504150, -0.5794040711, 0.1552508529 ] - [ -0.1774483079, 0.0551340186, -0.5004870013, 0.1397411031, 0.4256409100, -0.1195312136, -0.0172020622, 0.0295548954, 0.5805519065, -0.1476367694, -0.3624012233, 0.0930507773 ] - [ 0.6738615011, -0.0826828580, -0.1851761170, 0.0185703638, 0.0664563772, -0.0048053212, -0.6804677252, -0.1879993490, -0.0249073966, -0.0283644141, -0.0085463574, 0.0110267616 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.06743089172152, 0.00000000000000 ] - [ -0.18567149947491, 0.00732836542453 ] - [ 0.67229962599745, 0.09454261203756 ] - # atom 2 - [ -0.06513328820760, 0.01745241197565 ] - [ -0.17744830787878, 0.05513401859807 ] - [ 0.67386150110765, -0.08268285801803 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.44198440489894, 0.00000000000000 ] - [ -0.51960059297382, 0.00544396866578 ] - [ -0.18367262113949, -0.02998948947390 ] - # atom 2 - [ -0.42692446877968, 0.11439406663884 ] - [ -0.50048700127598, 0.13974110308947 ] - [ -0.18517611698404, 0.01857036381549 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.54781610882702, 0.00000000000000 ] - [ 0.44207417369686, -0.00529430847275 ] - [ 0.06543559104581, 0.01255858291152 ] - # atom 2 - [ -0.52915012081343, 0.14178534754709 ] - [ 0.42564090996271, -0.11953121361726 ] - [ 0.06645637717400, -0.00480532118550 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02121664380229, 0.00000000000000 ] - [ 0.02426530396524, -0.02409563336110 ] - [ 0.60862399006595, 0.35771169927159 ] - # atom 2 - [ 0.02049368896582, -0.00549126740834 ] - [ -0.01720206218130, 0.02955489540183 ] - [ -0.68046772523833, -0.18799934904380 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.37381517608114, 0.00000000000000 ] - [ -0.59898173283154, -0.00765172726599 ] - [ 0.01671745953722, 0.03384445389444 ] - # atom 2 - [ -0.36107746449897, 0.09675041501778 ] - [ 0.58055190652157, -0.14763676942667 ] - [ -0.02490739664587, -0.02836441410016 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.59984367941539, 0.00000000000000 ] - [ 0.37413629240458, 0.00391619247757 ] - [ 0.01110909150984, -0.00843907997746 ] - # atom 2 - [ -0.57940407109643, 0.15525085294192 ] - [ -0.36240122326275, 0.09305077733258 ] - [ -0.00854635742338, 0.01102676156229 ] - q-position: [ 0.3333333, 0.5000000, 0.1666667 ] dynamical_matrix: - [ -0.4501028533, 0.0000000000, -0.0544827890, 0.0000000000, 0.5426221822, 0.0000000000, -0.0043529521, 0.0000000000, 0.6702554106, 0.0000000000, -0.2252530819, 0.0000000000 ] - [ 0.5449898717, -0.0000000000, -0.0193537007, 0.0000000000, 0.4501236047, -0.0000000000, -0.7012774542, -0.0000000000, 0.0247398374, -0.0000000000, 0.0871670072, -0.0000000000 ] - [ 0.0198304492, -0.0000000000, -0.7047388491, -0.0000000000, -0.0543110791, -0.0000000000, -0.0905052402, -0.0000000000, -0.2239326675, -0.0000000000, -0.6645774420, -0.0000000000 ] - [ -0.4501030464, 0.0000000000, -0.0544828124, 0.0000000000, 0.5426224151, -0.0000000000, 0.0043529502, -0.0000000000, -0.6702551230, 0.0000000000, 0.2252529853, -0.0000000000 ] - [ 0.5449901055, -0.0000000000, -0.0193537090, 0.0000000000, 0.4501237978, -0.0000000000, 0.7012771534, -0.0000000000, -0.0247398268, 0.0000000000, -0.0871669698, 0.0000000000 ] - [ 0.0198304577, -0.0000000000, -0.7047391515, -0.0000000000, -0.0543111024, -0.0000000000, 0.0905052013, 0.0000000000, 0.2239325714, -0.0000000000, 0.6645771569, -0.0000000000 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.45010285325818, 0.00000000000000 ] - [ 0.54498987168933, -0.00000000000000 ] - [ 0.01983044917762, -0.00000000000000 ] - # atom 2 - [ -0.45010304637963, 0.00000000000000 ] - [ 0.54499010552307, -0.00000000000000 ] - [ 0.01983045768609, -0.00000000000000 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.05448278898313, 0.00000000000000 ] - [ -0.01935370066843, 0.00000000000000 ] - [ -0.70473884910990, -0.00000000000000 ] - # atom 2 - [ -0.05448281235956, 0.00000000000000 ] - [ -0.01935370897234, 0.00000000000000 ] - [ -0.70473915148565, -0.00000000000000 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.54262218224392, 0.00000000000000 ] - [ 0.45012360468673, -0.00000000000000 ] - [ -0.05431107907561, -0.00000000000000 ] - # atom 2 - [ 0.54262241506178, -0.00000000000000 ] - [ 0.45012379781709, -0.00000000000000 ] - [ -0.05431110237836, -0.00000000000000 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00435295207986, 0.00000000000000 ] - [ -0.70127745424909, -0.00000000000000 ] - [ -0.09050524018211, -0.00000000000000 ] - # atom 2 - [ 0.00435295021218, -0.00000000000000 ] - [ 0.70127715335861, -0.00000000000000 ] - [ 0.09050520134989, 0.00000000000000 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.67025541058906, 0.00000000000000 ] - [ 0.02473983736952, -0.00000000000000 ] - [ -0.22393266745460, -0.00000000000000 ] - # atom 2 - [ -0.67025512300892, 0.00000000000000 ] - [ -0.02473982675464, 0.00000000000000 ] - [ 0.22393257137393, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.22525308192030, 0.00000000000000 ] - [ 0.08716700717107, -0.00000000000000 ] - [ -0.66457744204611, -0.00000000000000 ] - # atom 2 - [ 0.22525298527309, -0.00000000000000 ] - [ -0.08716696977115, 0.00000000000000 ] - [ 0.66457715690217, -0.00000000000000 ] - q-position: [ 0.3333333, 0.5000000, 0.3333333 ] dynamical_matrix: - [ -0.3653370544, 0.0000000000, 0.6000008767, 0.0000000000, -0.0807935574, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.5061562975, 0.0287248930, 0.2512976879, 0.0129879865, -0.4225438121, -0.0334366325, 0.6971917337, -0.1100780960, -0.0000000000, 0.0000000000, 0.0214349294, -0.0367046168 ] - [ -0.3272358875, 0.0492545212, -0.2741094067, 0.0392884157, -0.5559167162, 0.0690473638, -0.0322273067, -0.0277143610, 0.0000000000, 0.0000000000, 0.6949998170, -0.1231615000 ] - [ -0.3528886272, -0.0945562227, 0.5795565579, 0.1552917117, -0.0780406127, -0.0209109191, 0.0000000000, 0.0000000000, -0.6830125750, -0.1830126679, 0.0000000000, 0.0000000000 ] - [ 0.4814750694, 0.1587490645, 0.2393734775, 0.0775860881, -0.3994920920, -0.1416597455, -0.7019255483, -0.0741191954, -0.0000000000, -0.0000000000, -0.0302043946, 0.0299061583 ] - [ -0.3288337254, -0.0371186796, -0.2749380476, -0.0329950518, -0.5548452924, -0.0771872304, 0.0239561745, 0.0351110447, -0.0000000000, -0.0000000000, -0.7031945530, -0.0609142927 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.36533705436870, 0.00000000000000 ] - [ 0.50615629749479, 0.02872489296173 ] - [ -0.32723588752573, 0.04925452123870 ] - # atom 2 - [ -0.35288862724061, -0.09455622268685 ] - [ 0.48147506942743, 0.15874906454641 ] - [ -0.32883372539091, -0.03711867959884 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.60000087666537, 0.00000000000000 ] - [ 0.25129768789851, 0.01298798651587 ] - [ -0.27410940674853, 0.03928841568692 ] - # atom 2 - [ 0.57955655791740, 0.15529171166148 ] - [ 0.23937347750590, 0.07758608805451 ] - [ -0.27493804759964, -0.03299505178222 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.08079355739968, 0.00000000000000 ] - [ -0.42254381206342, -0.03343663248660 ] - [ -0.55591671619029, 0.06904736380975 ] - # atom 2 - [ -0.07804061268826, -0.02091091914656 ] - [ -0.39949209196142, -0.14165974545231 ] - [ -0.55484529237011, -0.07718723038033 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69719173365899, -0.11007809595234 ] - [ -0.03222730665403, -0.02771436096336 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70192554827792, -0.07411919542814 ] - [ 0.02395617446716, 0.03511104470153 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301257499636, -0.18301266788981 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.02143492944884, -0.03670461683908 ] - [ 0.69499981697897, -0.12316150003191 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03020439459716, 0.02990615826470 ] - [ -0.70319455302663, -0.06091429265649 ] - q-position: [ 0.3333333, 0.5000000, 0.5000000 ] dynamical_matrix: - [ -0.2462320371, 0.0000000000, 0.2401919535, 0.0000000000, 0.6178004491, 0.0000000000, 0.3712737717, -0.0000000000, 0.0000000000, 0.0000000000, -0.6017939855, 0.0000000000 ] - [ -0.5926600896, -0.0444551452, -0.3386511774, 0.1287256460, -0.1045493142, -0.0677648347, -0.5862738878, 0.1034810027, -0.0989902268, 0.0295631587, -0.3616987256, 0.0638420840 ] - [ -0.0785261779, -0.2828090647, 0.4236956977, 0.3626770668, -0.1960243931, -0.2537207047, -0.0879238962, 0.0000000000, 0.6948578604, -0.0806208593, -0.0542442054, 0.0000000000 ] - [ -0.2132432908, -0.1231160714, 0.2080124228, 0.1200960283, 0.5350311129, 0.3089003571, -0.3215323801, -0.1856368062, 0.0000000000, 0.0000000000, 0.5211686556, 0.3008968636 ] - [ -0.4910313314, -0.3348294735, -0.3576434990, -0.0578459340, -0.0566599690, -0.1109607731, 0.5594683417, 0.2035196795, 0.1005095873, 0.0238926567, 0.3451611787, 0.1255604423 ] - [ 0.0733988989, -0.2841830454, 0.1855927839, 0.5259356278, -0.0429017703, -0.3177409086, 0.0761442951, 0.0439619293, -0.6420747133, -0.2776090989, 0.0469768398, 0.0271220911 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.24623203705622, 0.00000000000000 ] - [ -0.59266008955130, -0.04445514521435 ] - [ -0.07852617792645, -0.28280906473115 ] - # atom 2 - [ -0.21324329081062, -0.12311607135225 ] - [ -0.49103133143575, -0.33482947352206 ] - [ 0.07339889891159, -0.28418304537269 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.24019195352548, 0.00000000000000 ] - [ -0.33865117735915, 0.12872564595602 ] - [ 0.42369569773078, 0.36267706682695 ] - # atom 2 - [ 0.20801242278766, 0.12009602829110 ] - [ -0.35764349904328, -0.05784593398232 ] - [ 0.18559278392637, 0.52593562776568 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.61780044905977, 0.00000000000000 ] - [ -0.10454931422734, -0.06776483474313 ] - [ -0.19602439311217, -0.25372070467953 ] - # atom 2 - [ 0.53503111291608, 0.30890035706655 ] - [ -0.05665996900817, -0.11096077309334 ] - [ -0.04290177026442, -0.31774090860470 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.37127377174037, -0.00000000000000 ] - [ -0.58627388779259, 0.10348100266718 ] - [ -0.08792389622588, 0.00000000000000 ] - # atom 2 - [ -0.32153238012921, -0.18563680622056 ] - [ 0.55946834169167, 0.20351967945484 ] - [ 0.07614429506082, 0.04396192925057 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09899022678293, 0.02956315870082 ] - [ 0.69485786044912, -0.08062085928268 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10050958734611, 0.02389265668899 ] - [ -0.64207471332069, -0.27760909889934 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.60179398547010, 0.00000000000000 ] - [ -0.36169872555907, 0.06384208398778 ] - [ -0.05424420543584, 0.00000000000000 ] - # atom 2 - [ 0.52116865564895, 0.30089686363176 ] - [ 0.34516117874946, 0.12556044234235 ] - [ 0.04697683975964, 0.02712209108087 ] - q-position: [ 0.3333333, 0.5000000, 0.6666667 ] dynamical_matrix: - [ -0.1085288841, 0.0000000000, 0.6809280553, 0.0000000000, -0.1567102206, 0.0000000000, 0.0187948849, 0.0000000000, 0.4577275568, 0.0000000000, 0.5386395897, 0.0000000000 ] - [ 0.4800396165, -0.0098513761, -0.0425449323, -0.0029026471, -0.5173127931, -0.0057898904, -0.0678230902, -0.4995786479, -0.2107997492, -0.3039808192, 0.1815009204, 0.2757501002 ] - [ -0.5051746655, 0.0498456023, -0.1852091147, 0.0146866988, -0.4549035751, 0.0292954577, -0.4793529872, -0.1252559002, 0.3844948050, -0.0762150090, -0.3100115302, 0.0691369160 ] - [ -0.0767415669, -0.0767415669, 0.4814892032, 0.4814892032, -0.1108109420, -0.1108109420, -0.0132899807, -0.0132899807, -0.3236620188, -0.3236620188, -0.3808754235, -0.3808754235 ] - [ 0.3464055004, 0.3324735403, -0.0280313495, -0.0321363155, -0.3617015821, -0.3698897296, -0.3052970558, 0.4012133185, -0.0658889175, 0.3640045602, 0.0666441846, -0.3233250572 ] - [ -0.3924588867, -0.3219665075, -0.1413477903, -0.1205776462, -0.3423806740, -0.3009506095, 0.2503842654, 0.4275227265, -0.3257707915, -0.2179865722, 0.2680982382, 0.1703239465 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.10852888405410, 0.00000000000000 ] - [ 0.48003961653428, -0.00985137610035 ] - [ -0.50517466546105, 0.04984560232800 ] - # atom 2 - [ -0.07674156690010, -0.07674156690010 ] - [ 0.34640550036697, 0.33247354032422 ] - [ -0.39245888670720, -0.32196650748356 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.68092805531044, 0.00000000000000 ] - [ -0.04254493233954, -0.00290264710688 ] - [ -0.18520911469090, 0.01468669878342 ] - # atom 2 - [ 0.48148920323106, 0.48148920323106 ] - [ -0.02803134954137, -0.03213631549732 ] - [ -0.14134779028174, -0.12057764624031 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.15671022059750, 0.00000000000000 ] - [ -0.51731279310568, -0.00578989035758 ] - [ -0.45490357505431, 0.02929545774589 ] - # atom 2 - [ -0.11081094201538, -0.11081094201538 ] - [ -0.36170158206557, -0.36988972961897 ] - [ -0.34238067397873, -0.30095060952963 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.01879488488013, 0.00000000000000 ] - [ -0.06782309015895, -0.49957864789050 ] - [ -0.47935298722484, -0.12525590018659 ] - # atom 2 - [ -0.01328998067384, -0.01328998067384 ] - [ -0.30529705580390, 0.40121331846809 ] - [ 0.25038426536881, 0.42752272653860 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.45772755680253, 0.00000000000000 ] - [ -0.21079974915299, -0.30398081919803 ] - [ 0.38449480495833, -0.07621500900586 ] - # atom 2 - [ -0.32366201881995, -0.32366201881995 ] - [ -0.06588891754138, 0.36400456019224 ] - [ -0.32577079151506, -0.21798657222298 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.53863958972891, 0.00000000000000 ] - [ 0.18150092044913, 0.27575010024193 ] - [ -0.31001153024984, 0.06913691603552 ] - # atom 2 - [ -0.38087542346335, -0.38087542346335 ] - [ 0.06664418462580, -0.32332505715447 ] - [ 0.26809823820616, 0.17032394654953 ] - q-position: [ 0.3333333, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.0000000004, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ -0.0000000001, -0.0000000001, 0.0000000000, 0.0000000001, -0.0000000003, 0.0000000000, 0.9266275213, -0.0396456347, -0.3444234384, 0.1454721815, 0.0000000001, 0.0000000000 ] - [ 0.0000000000, 0.0000000001, -0.0000000004, -0.0000000001, -0.0000000002, -0.0000000000, 0.3700366023, 0.0535030228, 0.9064596459, -0.1963192549, 0.0000000001, 0.0000000000 ] - [ 0.7887484955, 0.5915613716, -0.1197967119, -0.0898475339, -0.0593679941, -0.0445259956, 0.0000000001, -0.0000000000, -0.0000000002, 0.0000000001, -0.0000000003, -0.0000000002 ] - [ -0.0578019314, -0.0385663608, 0.0073964572, 0.0514049185, -0.7828672400, -0.6161114217, -0.0000000002, -0.0000000002, -0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000 ] - [ -0.1180793528, -0.0957068102, -0.7557924016, -0.6353399412, -0.0436846036, 0.0104944314, -0.0000000001, -0.0000000001, -0.0000000003, -0.0000000001, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000036823, 0.00000000000000 ] - [ -0.00000000012408, -0.00000000008194 ] - [ 0.00000000002149, 0.00000000009244 ] - # atom 2 - [ 0.78874849546522, 0.59156137159529 ] - [ -0.05780193142155, -0.03856636077584 ] - [ -0.11807935280946, -0.09570681019761 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000005593, 0.00000000000000 ] - [ 0.00000000001382, 0.00000000007557 ] - [ -0.00000000036007, -0.00000000010123 ] - # atom 2 - [ -0.11979671188912, -0.08984753391669 ] - [ 0.00739645716596, 0.05140491852737 ] - [ -0.75579240162468, -0.63533994120363 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000002772, 0.00000000000000 ] - [ -0.00000000025418, 0.00000000003328 ] - [ -0.00000000016558, -0.00000000004232 ] - # atom 2 - [ -0.05936799411048, -0.04452599558234 ] - [ -0.78286723997373, -0.61611142165110 ] - [ -0.04368460358321, 0.01049443135408 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000009665, 0.00000000000000 ] - [ 0.92662752126000, -0.03964563465702 ] - [ 0.37003660230571, 0.05350302281395 ] - # atom 2 - [ 0.00000000007828, -0.00000000001129 ] - [ -0.00000000023585, -0.00000000019004 ] - [ -0.00000000009362, -0.00000000012272 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000002634, 0.00000000000000 ] - [ -0.34442343836735, 0.14547218153101 ] - [ 0.90645964589922, -0.19631925493968 ] - # atom 2 - [ -0.00000000016284, 0.00000000008323 ] - [ -0.00000000004757, 0.00000000001258 ] - [ -0.00000000033301, -0.00000000005709 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000008049, 0.00000000000000 ] - [ 0.00000000005964, 0.00000000000000 ] - # atom 2 - [ -0.00000000029879, -0.00000000022409 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.6666667, 0.0000000 ] dynamical_matrix: - [ -0.1980738499, 0.0000000000, 0.4764937619, 0.0000000000, 0.4834460397, 0.0000000000, 0.1069572714, 0.0000000000, 0.6989710392, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5501090582, 0.0110173581, -0.1821143468, 0.0110638671, 0.4048819376, -0.0063908127, 0.6603876148, 0.0158520548, -0.1010531959, -0.0024256978, 0.0040572193, 0.2310912994 ] - [ -0.3877136116, -0.0877677370, -0.4815567767, -0.0881382417, 0.3157805832, 0.0509112223, -0.2240818245, 0.0445506466, 0.0342892326, -0.0068171860, 0.1574266356, 0.6494594493 ] - [ -0.0000000000, 0.1980739971, -0.0000000000, -0.4764941160, 0.0000000000, -0.4834463989, 0.0000000000, 0.1069571919, -0.0000000000, 0.6989705198, 0.0000000000, -0.0000000000 ] - [ 0.0110173663, -0.5501094670, 0.0110638753, 0.1821144821, -0.0063908175, -0.4048822385, -0.0158520431, 0.6603871241, 0.0024256960, -0.1010531208, -0.2310911277, 0.0040572163 ] - [ -0.0877678022, 0.3877138998, -0.0881383072, 0.4815571346, 0.0509112602, -0.3157808179, -0.0445506135, -0.2240816580, 0.0068171810, 0.0342892071, -0.6494589667, 0.1574265186 ] band: - # 1 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.19807384993201, 0.00000000000000 ] - [ 0.55010905820833, 0.01101735814954 ] - [ -0.38771361162812, -0.08776773695696 ] - # atom 2 - [ -0.00000000000000, 0.19807399713159 ] - [ 0.01101736633714, -0.55010946702466 ] - [ -0.08776780218200, 0.38771389975946 ] - # 2 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.47649376190802, 0.00000000000000 ] - [ -0.18211434679713, 0.01106386708184 ] - [ -0.48155677668022, -0.08813824172601 ] - # atom 2 - [ -0.00000000000000, -0.47649411601678 ] - [ 0.01106387530401, 0.18211448213633 ] - [ -0.08813830722639, 0.48155713455158 ] - # 3 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.48344603965537, 0.00000000000000 ] - [ 0.40488193756664, -0.00639081272549 ] - [ 0.31578058323792, 0.05091122232927 ] - # atom 2 - [ 0.00000000000000, -0.48344639893074 ] - [ -0.00639081747486, -0.40488223845670 ] - [ 0.05091126016421, -0.31578081791186 ] - # 4 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.10695727138774, 0.00000000000000 ] - [ 0.66038761484731, 0.01585205483532 ] - [ -0.22408182451716, 0.04455064656683 ] - # atom 2 - [ 0.00000000000000, 0.10695719190196 ] - [ -0.01585204305479, 0.66038712407727 ] - [ -0.04455061345881, -0.22408165798974 ] - # 5 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.69897103922458, 0.00000000000000 ] - [ -0.10105319588160, -0.00242569782713 ] - [ 0.03428923256181, -0.00681718601766 ] - # atom 2 - [ -0.00000000000000, 0.69897051978109 ] - [ 0.00242569602446, -0.10105312078346 ] - [ 0.00681718095143, 0.03428920707961 ] - # 6 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00405721932121, 0.23109129939208 ] - [ 0.15742663557111, 0.64945944931675 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.23109112765554, 0.00405721630607 ] - [ -0.64945896666803, 0.15742651857880 ] - q-position: [ 0.3333333, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.6965694710, 0.0000000000, -0.1213328932, 0.0000000000, -0.0083023805, 0.0000000000, 0.0594733125, 0.0000000000, 0.3370942710, 0.0000000000, 0.6187331809, 0.0000000000 ] - [ -0.1193086209, 0.0002046070, -0.6777762632, -0.0073018263, -0.1048118695, 0.1238770837, 0.6178519862, -0.1462213098, -0.2744724748, 0.1070407343, 0.0901477346, -0.0442622983 ] - [ -0.0235798981, 0.0000000000, -0.1549511338, 0.0428266727, 0.2861386795, -0.6258788182, -0.3036824467, -0.0334442822, -0.5467443378, 0.0254085596, 0.3270640581, -0.0106282285 ] - [ 0.4925493626, -0.4925493626, -0.0857953753, 0.0857953753, -0.0058706739, 0.0058706739, -0.0420539513, 0.0420539513, -0.2383614678, 0.2383614678, -0.4375101028, 0.4375101028 ] - [ -0.0842193185, 0.0845086767, -0.4844237227, 0.4740973733, 0.0134811523, 0.1617076298, -0.3334930016, 0.5402810074, 0.1183920311, -0.2697703768, -0.0324458790, 0.0950421751 ] - [ -0.0166735183, 0.0166735183, -0.0792840257, 0.1398501321, -0.2402327345, -0.6448942365, 0.2383844190, -0.1910870966, 0.3686397901, -0.4045728930, -0.2237537546, 0.2387843283 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.69656947100579, 0.00000000000000 ] - [ -0.11930862091816, 0.00020460698518 ] - [ -0.02357989813191, 0.00000000000000 ] - # atom 2 - [ 0.49254936255523, -0.49254936255678 ] - [ -0.08421931850638, 0.08450867669508 ] - [ -0.01667351825974, 0.01667351825979 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.12133289316179, 0.00000000000000 ] - [ -0.67777626324345, -0.00730182627352 ] - [ -0.15495113383821, 0.04282667274806 ] - # atom 2 - [ -0.08579537529477, 0.08579537529504 ] - [ -0.48442372274070, 0.47409737332203 ] - [ -0.07928402569380, 0.13985013213573 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.00830238052085, 0.00000000000000 ] - [ -0.10481186949859, 0.12387708368469 ] - [ 0.28613867952754, -0.62587881824560 ] - # atom 2 - [ -0.00587067392909, 0.00587067392911 ] - [ 0.01348115225460, 0.16170762975209 ] - [ -0.24023273445986, -0.64489423649186 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.05947331246758, 0.00000000000000 ] - [ 0.61785198616113, -0.14622130984269 ] - [ -0.30368244666609, -0.03344428221782 ] - # atom 2 - [ -0.04205395129278, 0.04205395129291 ] - [ -0.33349300160250, 0.54028100741581 ] - [ 0.23838441895616, -0.19108709660981 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.33709427096770, 0.00000000000000 ] - [ -0.27447247480517, 0.10704073427964 ] - [ -0.54674433781641, 0.02540855964125 ] - # atom 2 - [ -0.23836146776049, 0.23836146776124 ] - [ 0.11839203112741, -0.26977037677507 ] - [ 0.36863979006566, -0.40457289300803 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.61873318091265, 0.00000000000000 ] - [ 0.09014773457147, -0.04426229832341 ] - [ 0.32706405805640, -0.01062822852382 ] - # atom 2 - [ -0.43751010282992, 0.43751010283129 ] - [ -0.03244587901624, 0.09504217508845 ] - [ -0.22375375458876, 0.23878432834184 ] - q-position: [ 0.3333333, 0.6666667, 0.3333333 ] dynamical_matrix: - [ -0.2565963892, 0.0000000000, 0.0000000000, 0.0000000000, 0.6589066106, 0.0000000000, 0.0000000000, 0.0000000000, -0.0688570867, 0.0000000000, 0.7037464552, 0.0000000000 ] - [ 0.6537758331, 0.0000000000, 0.0880708942, 0.0000000000, 0.2545983230, 0.0000000000, 0.2370446689, 0.0000000000, -0.6630246802, -0.0000000000, -0.0648727216, -0.0000000000 ] - [ 0.0820675427, 0.0000000000, -0.7016004176, -0.0000000000, 0.0319593624, 0.0000000000, 0.6661908109, 0.0000000001, 0.2359180932, -0.0000000000, 0.0230830755, -0.0000000000 ] - [ -0.2565965799, 0.0000000000, -0.0000000000, 0.0000000000, 0.6589071003, -0.0000000000, 0.0000000000, 0.0000000000, 0.0688570355, -0.0000000000, -0.7037459322, 0.0000000000 ] - [ 0.6537763189, -0.0000000000, 0.0880709597, 0.0000000000, 0.2545985122, -0.0000000000, -0.2370444927, -0.0000000000, 0.6630241874, -0.0000000000, 0.0648726734, -0.0000000000 ] - [ 0.0820676037, -0.0000000000, -0.7016009390, -0.0000000000, 0.0319593861, -0.0000000000, -0.6661903158, -0.0000000001, -0.2359179178, 0.0000000000, -0.0230830584, 0.0000000000 ] band: - # 1 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.25659638917556, 0.00000000000000 ] - [ 0.65377583307725, 0.00000000000103 ] - [ 0.08206754272438, 0.00000000000000 ] - # atom 2 - [ -0.25659657986647, 0.00000000000121 ] - [ 0.65377631893407, -0.00000000000205 ] - [ 0.08206760371329, -0.00000000000039 ] - # 2 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08807089423578, 0.00000000000064 ] - [ -0.70160041762467, -0.00000000000399 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.08807095968611, 0.00000000000023 ] - [ -0.70160093902258, -0.00000000000069 ] - # 3 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.65890661059415, 0.00000000000000 ] - [ 0.25459832304095, 0.00000000000040 ] - [ 0.03195936236335, 0.00000000000000 ] - # atom 2 - [ 0.65890710026393, -0.00000000000310 ] - [ 0.25459851224699, -0.00000000000080 ] - [ 0.03195938611411, -0.00000000000015 ] - # 4 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.23704466890792, 0.00000000004899 ] - [ 0.66619081089409, 0.00000000013469 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23704449274711, -0.00000000004787 ] - [ -0.66619031581138, -0.00000000013155 ] - # 5 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.06885708668953, 0.00000000000000 ] - [ -0.66302468016595, -0.00000000000297 ] - [ 0.23591809316131, -0.00000000000000 ] - # atom 2 - [ 0.06885703551808, -0.00000000000032 ] - [ 0.66302418743616, -0.00000000000015 ] - [ -0.23591791783771, 0.00000000000111 ] - # 6 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.70374645518825, 0.00000000000000 ] - [ -0.06487272162142, -0.00000000000029 ] - [ 0.02308307554898, -0.00000000000000 ] - # atom 2 - [ -0.70374593219589, 0.00000000000332 ] - [ 0.06487267341096, -0.00000000000002 ] - [ -0.02308305839469, 0.00000000000011 ] - q-position: [ 0.3333333, 0.6666667, 0.5000000 ] dynamical_matrix: - [ -0.1085288841, 0.0000000000, 0.6809280553, 0.0000000000, -0.1567102206, 0.0000000000, 0.0187948849, 0.0000000000, 0.4577275568, 0.0000000000, 0.5386395897, 0.0000000000 ] - [ 0.4800396165, -0.0098513761, -0.0425449323, -0.0029026471, -0.5173127931, -0.0057898904, -0.0678230902, -0.4995786479, -0.2107997492, -0.3039808192, 0.1815009204, 0.2757501002 ] - [ -0.5051746655, 0.0498456023, -0.1852091147, 0.0146866988, -0.4549035751, 0.0292954577, -0.4793529872, -0.1252559002, 0.3844948050, -0.0762150090, -0.3100115302, 0.0691369160 ] - [ -0.0767415669, -0.0767415669, 0.4814892032, 0.4814892032, -0.1108109420, -0.1108109420, -0.0132899807, -0.0132899807, -0.3236620188, -0.3236620188, -0.3808754235, -0.3808754235 ] - [ 0.3464055004, 0.3324735403, -0.0280313495, -0.0321363155, -0.3617015821, -0.3698897296, -0.3052970558, 0.4012133185, -0.0658889175, 0.3640045602, 0.0666441846, -0.3233250572 ] - [ -0.3924588867, -0.3219665075, -0.1413477903, -0.1205776462, -0.3423806740, -0.3009506095, 0.2503842654, 0.4275227265, -0.3257707915, -0.2179865722, 0.2680982382, 0.1703239465 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.10852888405410, 0.00000000000000 ] - [ 0.48003961653428, -0.00985137610035 ] - [ -0.50517466546105, 0.04984560232800 ] - # atom 2 - [ -0.07674156690010, -0.07674156690010 ] - [ 0.34640550036697, 0.33247354032422 ] - [ -0.39245888670720, -0.32196650748356 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.68092805531044, 0.00000000000000 ] - [ -0.04254493233954, -0.00290264710688 ] - [ -0.18520911469090, 0.01468669878342 ] - # atom 2 - [ 0.48148920323106, 0.48148920323106 ] - [ -0.02803134954137, -0.03213631549732 ] - [ -0.14134779028174, -0.12057764624031 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.15671022059750, 0.00000000000000 ] - [ -0.51731279310568, -0.00578989035758 ] - [ -0.45490357505431, 0.02929545774589 ] - # atom 2 - [ -0.11081094201538, -0.11081094201538 ] - [ -0.36170158206557, -0.36988972961897 ] - [ -0.34238067397873, -0.30095060952963 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.01879488488013, 0.00000000000000 ] - [ -0.06782309015895, -0.49957864789050 ] - [ -0.47935298722484, -0.12525590018659 ] - # atom 2 - [ -0.01328998067384, -0.01328998067384 ] - [ -0.30529705580390, 0.40121331846809 ] - [ 0.25038426536881, 0.42752272653860 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.45772755680253, 0.00000000000000 ] - [ -0.21079974915299, -0.30398081919803 ] - [ 0.38449480495833, -0.07621500900586 ] - # atom 2 - [ -0.32366201881995, -0.32366201881995 ] - [ -0.06588891754138, 0.36400456019224 ] - [ -0.32577079151506, -0.21798657222298 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.53863958972891, 0.00000000000000 ] - [ 0.18150092044913, 0.27575010024193 ] - [ -0.31001153024984, 0.06913691603552 ] - # atom 2 - [ -0.38087542346335, -0.38087542346335 ] - [ 0.06664418462580, -0.32332505715447 ] - [ 0.26809823820616, 0.17032394654953 ] - q-position: [ 0.3333333, 0.6666667, 0.6666667 ] dynamical_matrix: - [ -0.2693157222, -0.0000000000, -0.3937957882, 0.0000000000, 0.5219133524, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.5207066240, 0.0451569918, 0.2068509502, -0.0568154492, 0.4247668937, -0.0195668432, 0.5338111402, 0.1551189507, -0.0000000000, 0.0000000000, -0.4052265872, 0.1636324001 ] - [ -0.1577498388, -0.3597347861, 0.3066816507, 0.4526097214, 0.1499969875, 0.1558756217, -0.0305729228, 0.4359466088, 0.0000000000, 0.0000000000, 0.3123030709, 0.4598728239 ] - [ 0.0000000000, -0.2693159224, 0.0000000000, -0.3937960809, -0.0000000000, 0.5219137402, -0.0000000000, 0.0000000000, 0.0000000000, -0.7071065184, -0.0000000000, -0.0000000000 ] - [ -0.0451570253, 0.5207070110, 0.0568154914, 0.2068511039, 0.0195668578, 0.4247672094, 0.1551188354, -0.5338107435, 0.0000000000, -0.0000000000, 0.1636322784, 0.4052262861 ] - [ 0.3597350534, -0.1577499561, -0.4526100577, 0.3066818786, -0.1558757375, 0.1499970990, 0.4359462848, 0.0305729001, 0.0000000000, -0.0000000000, 0.4598724821, -0.3123028388 ] band: - # 1 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.26931572220921, -0.00000000000000 ] - [ 0.52070662404794, 0.04515699178777 ] - [ -0.15774983882480, -0.35973478607102 ] - # atom 2 - [ 0.00000000000127, -0.26931592235255 ] - [ -0.04515702534887, 0.52070701101349 ] - [ 0.35973505341049, -0.15774995605570 ] - # 2 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.39379578820268, 0.00000000000000 ] - [ 0.20685095015086, -0.05681544922129 ] - [ 0.30668165071613, 0.45260972137365 ] - # atom 2 - [ 0.00000000000186, -0.39379608085402 ] - [ 0.05681549144300, 0.20685110387346 ] - [ -0.45261005773431, 0.30668187862602 ] - # 3 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.52191335237505, 0.00000000000000 ] - [ 0.42476689370156, -0.01956684324246 ] - [ 0.14999698751396, 0.15587562167519 ] - # atom 2 - [ -0.00000000000246, 0.52191374023761 ] - [ 0.01956685778166, 0.42476720936932 ] - [ -0.15587573751565, 0.14999709898424 ] - # 4 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.53381114018923, 0.15511895068406 ] - [ -0.03057292284506, 0.43594660878903 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.15511883540923, -0.53381074348434 ] - [ 0.43594628481319, 0.03057290012671 ] - # 5 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000333, -0.70710651844160 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.40522658720666, 0.16363240005202 ] - [ 0.31230307090890, 0.45987282388975 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.16363227844596, 0.40522628606146 ] - [ 0.45987248213465, -0.31230283881729 ] - q-position: [ 0.3333333, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.6005789504, 0.0000000000, -0.3602869577, 0.0000000000, -0.0974569690, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.3712957706, 0.0042833724, -0.5706647175, -0.0110125220, -0.1784312550, 0.0671082982, -0.0000000000, -0.0000000000, 0.3872006838, 0.2828300124, 0.2852360986, 0.4344232432 ] - [ -0.0283878912, -0.0248954570, -0.2045387065, 0.0507676933, 0.5812150630, -0.3411005448, 0.0000000000, -0.0000000000, -0.5151083319, 0.0688955196, 0.4673061502, 0.1074343863 ] - [ -0.4246737641, 0.4246737641, 0.2547615403, -0.2547615403, 0.0689125349, -0.0689125349, 0.4999998142, -0.4999998142, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.2595171484, -0.2655747563, 0.4113082261, -0.3957341566, 0.0787172762, -0.1736228121, 0.0000000000, -0.0000000000, 0.4737828967, -0.0738011547, 0.5088756225, 0.1054911633 ] - [ 0.0376770448, -0.0024695257, 0.1087326069, -0.1805290207, -0.1697867302, 0.6521761054, 0.0000000000, -0.0000000000, -0.3155198709, 0.4129527767, 0.4064026288, -0.2544675755 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.60057895044447, 0.00000000000000 ] - [ -0.37129577062121, 0.00428337239838 ] - [ -0.02838789115972, -0.02489545703189 ] - # atom 2 - [ -0.42467376409607, 0.42467376409474 ] - [ 0.25951714842466, -0.26557475626406 ] - [ 0.03767704483048, -0.00246952568982 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.36028695770105, 0.00000000000000 ] - [ -0.57066471746856, -0.01101252197103 ] - [ -0.20453870646375, 0.05076769334559 ] - # atom 2 - [ 0.25476154029107, -0.25476154029027 ] - [ 0.41130822613579, -0.39573415663322 ] - [ 0.10873260693119, -0.18052902074629 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.09745696904864, 0.00000000000000 ] - [ -0.17843125504347, 0.06710829816261 ] - [ 0.58121506300513, -0.34110054483059 ] - # atom 2 - [ 0.06891253490095, -0.06891253490073 ] - [ 0.07871727621156, -0.17362281214999 ] - [ -0.16978673024136, 0.65217610536218 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.49999981421205, -0.49999981421048 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.38720068375736, 0.28283001236476 ] - [ -0.51510833186622, 0.06889551961472 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.47378289673705, -0.07380115465226 ] - [ -0.31551987091581, 0.41295277673279 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.28523609855276, 0.43442324323564 ] - [ 0.46730615022839, 0.10743438627899 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.50887562254917, 0.10549116327563 ] - [ 0.40640262876739, -0.25446757553668 ] - q-position: [ 0.3333333, 0.8333333, 0.0000000 ] dynamical_matrix: - [ -0.1466510297, 0.0000000000, -0.2135794023, 0.0000000000, 0.6579339850, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6440821288, 0.0115501312, 0.1996152315, 0.0391158829, 0.2083628637, 0.0152723309, 0.6510051324, 0.1322152389, -0.0000000000, -0.0000000000, -0.2155564978, -0.1106663015 ] - [ -0.1862928235, 0.1697441586, 0.5314346825, -0.3613648272, 0.1309910560, -0.0794713898, 0.2024123154, -0.1331949272, 0.0000000000, -0.0000000000, 0.6330218588, -0.2014246214 ] - [ 0.0379560936, 0.1416540697, 0.0552784375, 0.2063019373, -0.1702859090, -0.6355156642, 0.0000000000, 0.0000000000, 0.1830126679, 0.6830125750, -0.0000000000, -0.0000000000 ] - [ -0.1555442093, -0.6251251887, -0.0138811872, -0.2029375183, -0.0391763531, -0.2052159176, 0.0407823977, 0.6630422459, 0.0000000000, 0.0000000000, 0.0511052928, -0.2368540467 ] - [ 0.2121764762, 0.1360120790, -0.4865972172, -0.4197985413, -0.1106664890, -0.1059589742, 0.1810445150, 0.1610418393, 0.0000000000, 0.0000000000, 0.3583992237, 0.5593194260 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.14665102967950, 0.00000000000000 ] - [ 0.64408212884300, 0.01155013119051 ] - [ -0.18629282354323, 0.16974415859195 ] - # atom 2 - [ 0.03795609356843, 0.14165406965480 ] - [ -0.15554420933685, -0.62512518870874 ] - [ 0.21217647618441, 0.13601207901344 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.21357940233065, 0.00000000000000 ] - [ 0.19961523147047, 0.03911588293437 ] - [ 0.53143468254860, -0.36136482723573 ] - # atom 2 - [ 0.05527843750478, 0.20630193733174 ] - [ -0.01388118721041, -0.20293751827440 ] - [ -0.48659721721912, -0.41979854132877 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.65793398499038, 0.00000000000000 ] - [ 0.20836286368237, 0.01527233090251 ] - [ 0.13099105601492, -0.07947138980136 ] - # atom 2 - [ -0.17028590900942, -0.63551566423889 ] - [ -0.03917635312356, -0.20521591762465 ] - [ -0.11066648901602, -0.10595897416839 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65100513235766, 0.13221523888122 ] - [ 0.20241231536194, -0.13319492719351 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.04078239769479, 0.66304224589472 ] - [ 0.18104451501364, 0.16104183925901 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.18301266788981, 0.68301257499636 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.21555649781750, -0.11066630150556 ] - [ 0.63302185875215, -0.20142462136096 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.05110529280401, -0.23685404673737 ] - [ 0.35839922366064, 0.55931942598331 ] - q-position: [ 0.3333333, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.4224069257, 0.0000000000, -0.5587384007, 0.0000000000, 0.0968688507, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5641627174, 0.0004351438, -0.4018504181, 0.0008254599, 0.1422230060, 0.0028637524, 0.6565855655, -0.0012746750, -0.0000000000, -0.0000000000, 0.2624067908, -0.0060548370 ] - [ 0.0571221305, -0.0054291578, 0.1619279948, -0.0102990143, 0.6849116595, -0.0357301742, -0.2624696654, -0.0019130300, 0.0000000000, -0.0000000000, 0.6565239176, -0.0090870892 ] - [ 0.0000000000, -0.4224071069, -0.0000000000, 0.5587386404, 0.0000000000, -0.0968688923, -0.0000000000, -0.0000000000, -0.0000000000, 0.7071066295, -0.0000000000, -0.0000000000 ] - [ 0.0004351440, 0.5641629595, 0.0008254603, 0.4018505905, 0.0028637537, -0.1422230670, 0.0012746744, 0.6565852838, -0.0000000000, 0.0000000000, 0.0060548344, 0.2624066782 ] - [ -0.0054291602, -0.0571221551, -0.0102990187, -0.1619280643, -0.0357301895, -0.6849119534, 0.0019130292, -0.2624695528, -0.0000000000, 0.0000000000, 0.0090870853, 0.6565236359 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.42240692567313, 0.00000000000000 ] - [ -0.56416271740523, 0.00043514380599 ] - [ 0.05712213054672, -0.00542915782444 ] - # atom 2 - [ 0.00000000000066, -0.42240710691134 ] - [ 0.00043514399181, 0.56416295946529 ] - [ -0.00542916015379, -0.05712215505559 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.55873840066327, 0.00000000000000 ] - [ -0.40185041807694, 0.00082545993762 ] - [ 0.16192799481817, -0.01029901429230 ] - # atom 2 - [ -0.00000000000088, 0.55873864039597 ] - [ 0.00082546029116, 0.40185059049516 ] - [ -0.01029901871094, -0.16192806429513 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.09686885070712, 0.00000000000000 ] - [ 0.14222300601071, 0.00286375244486 ] - [ 0.68491165953617, -0.03573017418090 ] - # atom 2 - [ 0.00000000000015, -0.09686889226974 ] - [ 0.00286375367381, -0.14222306703301 ] - [ -0.03573018951024, -0.68491195340491 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65658556548869, -0.00127467496023 ] - [ -0.26246966537499, -0.00191303002957 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00127467441229, 0.65658528377374 ] - [ 0.00191302920918, -0.26246955275962 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710662949069 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.26240679083134, -0.00605483703768 ] - [ 0.65652391762523, -0.00908708921354 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00605483443938, 0.26240667824295 ] - [ 0.00908708531360, 0.65652363593675 ] - q-position: [ 0.3333333, 0.8333333, 0.3333333 ] dynamical_matrix: - [ -0.0279875524, 0.0000000000, 0.7063498694, 0.0000000000, -0.0169170724, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5797780442, 0.0570938452, -0.0133811492, 0.0024050164, 0.4004709121, 0.0059623807, -0.5886723597, 0.2140105757, -0.0000000000, 0.0000000000, 0.3053142334, 0.1201994876 ] - [ -0.3808426972, -0.1215437272, -0.0278157779, -0.0105325054, -0.5313458464, -0.2386891936, -0.1840931379, 0.2716144593, 0.0000000000, 0.0000000000, -0.6066780528, 0.1558121109 ] - [ -0.0072437170, 0.0270339197, 0.1828169346, -0.6822820883, -0.0043784638, 0.0163406492, 0.0000000000, 0.0000000000, -0.1830126339, 0.6830124481, 0.0000000000, 0.0000000000 ] - [ -0.0949092507, 0.5747999881, -0.0011402297, 0.0135476717, 0.1094087979, -0.3852823053, -0.0543586837, -0.6240033846, -0.0000000000, 0.0000000000, -0.1951247827, 0.2638007906 ] - [ -0.2159717288, 0.3364082156, -0.0173728849, 0.0241419832, -0.3680787547, 0.4514637021, -0.2147124513, -0.2481191270, -0.0000000000, 0.0000000000, 0.0065168874, -0.6263326757 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.02798755236059, 0.00000000000000 ] - [ -0.57977804422640, 0.05709384523194 ] - [ -0.38084269717432, -0.12154372716886 ] - # atom 2 - [ -0.00724371695994, 0.02703391973009 ] - [ -0.09490925067894, 0.57479998810296 ] - [ -0.21597172881330, 0.33640821555339 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.70634986939796, 0.00000000000000 ] - [ -0.01338114917951, 0.00240501638422 ] - [ -0.02781577785568, -0.01053250536176 ] - # atom 2 - [ 0.18281693456746, -0.68228208828832 ] - [ -0.00114022966222, 0.01354767168995 ] - [ -0.01737288491859, 0.02414198317007 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.01691707235156, 0.00000000000000 ] - [ 0.40047091211628, 0.00596238071818 ] - [ -0.53134584639991, -0.23868919364760 ] - # atom 2 - [ -0.00437846376585, 0.01634064923320 ] - [ 0.10940879789497, -0.38528230533087 ] - [ -0.36807875472437, 0.45146370206004 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.58867235974827, 0.21401057566965 ] - [ -0.18409313793853, 0.27161445931925 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05435868371275, -0.62400338460880 ] - [ -0.21471245131405, -0.24811912698359 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301263388918, 0.68301244809999 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.30531423342643, 0.12019948758033 ] - [ -0.60667805276895, 0.15581211094949 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.19512478270436, 0.26380079055788 ] - [ 0.00651688744486, -0.62633267572133 ] - q-position: [ 0.3333333, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000004, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ -0.0000000001, -0.0000000001, 0.0000000000, 0.0000000001, -0.0000000003, 0.0000000000, 0.9266275213, -0.0396456347, -0.3444234384, 0.1454721815, 0.0000000001, 0.0000000000 ] - [ 0.0000000000, 0.0000000001, -0.0000000004, -0.0000000001, -0.0000000002, -0.0000000000, 0.3700366023, 0.0535030228, 0.9064596459, -0.1963192549, 0.0000000001, 0.0000000000 ] - [ 0.7887484955, 0.5915613716, -0.1197967119, -0.0898475339, -0.0593679941, -0.0445259956, 0.0000000001, -0.0000000000, -0.0000000002, 0.0000000001, -0.0000000003, -0.0000000002 ] - [ -0.0578019314, -0.0385663608, 0.0073964572, 0.0514049185, -0.7828672400, -0.6161114217, -0.0000000002, -0.0000000002, -0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000 ] - [ -0.1180793528, -0.0957068102, -0.7557924016, -0.6353399412, -0.0436846036, 0.0104944314, -0.0000000001, -0.0000000001, -0.0000000003, -0.0000000001, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000036823, 0.00000000000000 ] - [ -0.00000000012408, -0.00000000008194 ] - [ 0.00000000002149, 0.00000000009244 ] - # atom 2 - [ 0.78874849546522, 0.59156137159529 ] - [ -0.05780193142155, -0.03856636077584 ] - [ -0.11807935280946, -0.09570681019761 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000005593, 0.00000000000000 ] - [ 0.00000000001382, 0.00000000007557 ] - [ -0.00000000036007, -0.00000000010123 ] - # atom 2 - [ -0.11979671188912, -0.08984753391669 ] - [ 0.00739645716596, 0.05140491852737 ] - [ -0.75579240162468, -0.63533994120363 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000002772, 0.00000000000000 ] - [ -0.00000000025418, 0.00000000003328 ] - [ -0.00000000016558, -0.00000000004232 ] - # atom 2 - [ -0.05936799411048, -0.04452599558234 ] - [ -0.78286723997373, -0.61611142165110 ] - [ -0.04368460358321, 0.01049443135408 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000009665, 0.00000000000000 ] - [ 0.92662752126000, -0.03964563465702 ] - [ 0.37003660230571, 0.05350302281395 ] - # atom 2 - [ 0.00000000007828, -0.00000000001129 ] - [ -0.00000000023585, -0.00000000019004 ] - [ -0.00000000009362, -0.00000000012272 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000002634, 0.00000000000000 ] - [ -0.34442343836735, 0.14547218153101 ] - [ 0.90645964589922, -0.19631925493968 ] - # atom 2 - [ -0.00000000016284, 0.00000000008323 ] - [ -0.00000000004757, 0.00000000001258 ] - [ -0.00000000033301, -0.00000000005709 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000008049, 0.00000000000000 ] - [ 0.00000000005964, 0.00000000000000 ] - # atom 2 - [ -0.00000000029879, -0.00000000022409 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.8333333, 0.6666667 ] dynamical_matrix: - [ 0.6005789504, 0.0000000000, -0.3602869577, 0.0000000000, -0.0974569690, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.3712957706, 0.0042833724, -0.5706647175, -0.0110125220, -0.1784312550, 0.0671082982, -0.0000000000, -0.0000000000, 0.3872006838, 0.2828300124, 0.2852360986, 0.4344232432 ] - [ -0.0283878912, -0.0248954570, -0.2045387065, 0.0507676933, 0.5812150630, -0.3411005448, 0.0000000000, -0.0000000000, -0.5151083319, 0.0688955196, 0.4673061502, 0.1074343863 ] - [ -0.4246737641, 0.4246737641, 0.2547615403, -0.2547615403, 0.0689125349, -0.0689125349, 0.4999998142, -0.4999998142, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.2595171484, -0.2655747563, 0.4113082261, -0.3957341566, 0.0787172762, -0.1736228121, 0.0000000000, -0.0000000000, 0.4737828967, -0.0738011547, 0.5088756225, 0.1054911633 ] - [ 0.0376770448, -0.0024695257, 0.1087326069, -0.1805290207, -0.1697867302, 0.6521761054, 0.0000000000, -0.0000000000, -0.3155198709, 0.4129527767, 0.4064026288, -0.2544675755 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.60057895044447, 0.00000000000000 ] - [ -0.37129577062121, 0.00428337239838 ] - [ -0.02838789115972, -0.02489545703189 ] - # atom 2 - [ -0.42467376409607, 0.42467376409474 ] - [ 0.25951714842466, -0.26557475626406 ] - [ 0.03767704483048, -0.00246952568982 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.36028695770105, 0.00000000000000 ] - [ -0.57066471746856, -0.01101252197103 ] - [ -0.20453870646375, 0.05076769334559 ] - # atom 2 - [ 0.25476154029107, -0.25476154029027 ] - [ 0.41130822613579, -0.39573415663322 ] - [ 0.10873260693119, -0.18052902074629 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.09745696904864, 0.00000000000000 ] - [ -0.17843125504347, 0.06710829816261 ] - [ 0.58121506300513, -0.34110054483059 ] - # atom 2 - [ 0.06891253490095, -0.06891253490073 ] - [ 0.07871727621156, -0.17362281214999 ] - [ -0.16978673024136, 0.65217610536218 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.49999981421205, -0.49999981421048 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.38720068375736, 0.28283001236476 ] - [ -0.51510833186622, 0.06889551961472 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.47378289673705, -0.07380115465226 ] - [ -0.31551987091581, 0.41295277673279 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.28523609855276, 0.43442324323564 ] - [ 0.46730615022839, 0.10743438627899 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.50887562254917, 0.10549116327563 ] - [ 0.40640262876739, -0.25446757553668 ] - q-position: [ 0.3333333, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.1153853592, 0.0000000000, -0.6972960904, 0.0000000000, -0.0215445284, 0.0000000000, 0.2474025823, 0.0000000000, -0.6572809805, 0.0000000000, 0.0823036418, 0.0000000000 ] - [ -0.5263537334, 0.2746270038, -0.0956759386, 0.0529177606, 0.2776084606, -0.2418902843, -0.4855415841, -0.0220118965, -0.1203192711, -0.0051926673, 0.4986495414, 0.0246982828 ] - [ 0.3547157124, -0.0916216343, 0.0422150604, -0.0064546008, 0.5334348969, -0.2817897488, 0.4499986936, -0.0076288357, 0.2312250127, -0.0036372954, 0.4938902256, -0.0061155425 ] - [ -0.0999266951, 0.0576927043, 0.6038763873, -0.3486481948, 0.0186581169, -0.0107722688, 0.2142568293, -0.1237012381, -0.5692217823, 0.3286403493, 0.0712770141, -0.0411518033 ] - [ 0.3185223393, -0.5010110435, 0.0563989373, -0.0936661345, -0.1194708883, 0.3482875109, -0.4314971095, 0.2237078345, -0.1067958331, 0.0556626299, 0.4441921212, -0.2279353325 ] - [ -0.2613821131, 0.2567046292, -0.0333320286, 0.0266973900, -0.3210734353, 0.5107547486, 0.3858957169, -0.2316060129, 0.1984280021, -0.1187624456, 0.4246635286, -0.2522412197 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.11538535915606, 0.00000000000000 ] - [ -0.52635373337553, 0.27462700376249 ] - [ 0.35471571244656, -0.09162163429958 ] - # atom 2 - [ -0.09992669512857, 0.05769270433164 ] - [ 0.31852233926437, -0.50101104347518 ] - [ -0.26138211309930, 0.25670462920465 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69729609037928, 0.00000000000000 ] - [ -0.09567593860296, 0.05291776057749 ] - [ 0.04221506043213, -0.00645460084616 ] - # atom 2 - [ 0.60387638732773, -0.34864819478050 ] - [ 0.05639893727094, -0.09366613446138 ] - [ -0.03333202863491, 0.02669738997491 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.02154452839803, 0.00000000000000 ] - [ 0.27760846058210, -0.24189028429623 ] - [ 0.53343489688766, -0.28178974879256 ] - # atom 2 - [ 0.01865811691072, -0.01077226882096 ] - [ -0.11947088828190, 0.34828751085658 ] - [ -0.32107343533377, 0.51075474856876 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.24740258229343, 0.00000000000000 ] - [ -0.48554158409159, -0.02201189653289 ] - [ 0.44999869355349, -0.00762883568197 ] - # atom 2 - [ 0.21425682929886, -0.12370123807126 ] - [ -0.43149710954516, 0.22370783447837 ] - [ 0.38589571687357, -0.23160601290539 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65728098051493, 0.00000000000000 ] - [ -0.12031927107194, -0.00519266725023 ] - [ 0.23122501266426, -0.00363729536822 ] - # atom 2 - [ -0.56922178231975, 0.32864034925051 ] - [ -0.10679583311637, 0.05566262990117 ] - [ 0.19842800213592, -0.11876244556567 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.08230364182817, 0.00000000000000 ] - [ 0.49864954136270, 0.02469828280429 ] - [ 0.49389022559422, -0.00611554248696 ] - # atom 2 - [ 0.07127701406502, -0.04115180325742 ] - [ 0.44419212122244, -0.22793533254465 ] - [ 0.42466352859564, -0.25224121972172 ] - q-position: [ 0.5000000, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.1506821933, -0.0000000000, 0.3294312569, 0.0000000000, -0.6072641417, 0.0000000000, 0.1341883160, 0.0000000000, 0.6942576479, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5251798743, -0.0104369082, -0.3489815112, 0.0106938870, -0.3196313760, 0.0032115257, 0.6776310025, 0.0365567581, -0.1309746654, -0.0070658059, -0.0531233569, -0.1394762851 ] - [ 0.4235898077, 0.1481335082, -0.4965226591, -0.1517816057, -0.1642491883, -0.0455823443, -0.1170925311, 0.0881070299, 0.0226320151, -0.0170296057, -0.6039220887, -0.3361585511 ] - [ 0.1065484403, -0.1065484403, 0.2329431622, -0.2329431622, -0.4294007521, 0.4294007521, -0.0948854330, 0.0948854330, -0.4909141083, 0.4909141083, -0.0000000000, 0.0000000000 ] - [ -0.3787383997, 0.3639783771, -0.2392055619, 0.2543290076, -0.2237427050, 0.2282844899, -0.5050068209, 0.4533077770, 0.0976093171, -0.0876167622, 0.1361884623, 0.0610607184 ] - [ 0.4042695838, -0.1947770897, -0.4584205122, 0.2437688272, -0.1483733547, 0.0839101613, 0.0204958368, -0.1450979472, -0.0039615002, 0.0280449906, 0.6647371482, -0.1893373428 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.15068219333603, -0.00000000000000 ] - [ -0.52517987427143, -0.01043690821141 ] - [ 0.42358980768829, 0.14813350820315 ] - # atom 2 - [ 0.10654844030296, -0.10654844030296 ] - [ -0.37873839974154, 0.36397837711523 ] - [ 0.40426958384671, -0.19477708966125 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.32943125686991, 0.00000000000000 ] - [ -0.34898151122090, 0.01069388702636 ] - [ -0.49652265909924, -0.15178160565651 ] - # atom 2 - [ 0.23294316222392, -0.23294316222392 ] - [ -0.23920556194281, 0.25432900762951 ] - [ -0.45842051221962, 0.24376882722172 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.60726414172076, 0.00000000000000 ] - [ -0.31963137600553, 0.00321152574142 ] - [ -0.16424918828825, -0.04558234431578 ] - # atom 2 - [ -0.42940075213776, 0.42940075213776 ] - [ -0.22374270496150, 0.22828448990855 ] - [ -0.14837335474325, 0.08391016125405 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.13418831601422, 0.00000000000000 ] - [ 0.67763100246591, 0.03655675810160 ] - [ -0.11709253111411, 0.08810702994318 ] - # atom 2 - [ -0.09488543295237, 0.09488543295237 ] - [ -0.50500682088856, 0.45330777699509 ] - [ 0.02049583681827, -0.14509794720499 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.69425764787575, 0.00000000000000 ] - [ -0.13097466535392, -0.00706580593473 ] - [ 0.02263201509716, -0.01702960567055 ] - # atom 2 - [ -0.49091410829094, 0.49091410829094 ] - [ 0.09760931705697, -0.08761676218798 ] - [ -0.00396150022454, 0.02804499057681 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05312335693841, -0.13947628505364 ] - [ -0.60392208865987, -0.33615855109252 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.13618846230212, 0.06106071835681 ] - [ 0.66473714822976, -0.18933734281488 ] - q-position: [ 0.5000000, 0.0000000, 0.1666667 ] dynamical_matrix: - [ 0.0124327561, 0.0000000000, 0.0653543358, 0.0000000000, -0.7039701860, 0.0000000000, 0.5371283348, 0.0000000000, 0.3351162820, 0.0000000000, -0.3149451444, 0.0000000000 ] - [ -0.5995889388, -0.0945305533, 0.3607112437, -0.0300016727, 0.0228979877, -0.0044547550, -0.4452348429, -0.0791742723, 0.2919433149, 0.0538397942, -0.4486917613, -0.0777410092 ] - [ -0.3096762301, -0.1884221948, -0.5757947032, -0.1821437739, -0.0589240997, -0.0202373521, 0.0835187876, 0.0039176244, -0.5471109792, -0.0154027918, -0.4397130494, -0.0097079105 ] - [ 0.0107670873, -0.0062163807, 0.0565985393, -0.0326771819, -0.6096563262, 0.3519852440, -0.4651665835, 0.2685640522, -0.2902190889, 0.1675580691, 0.2727503788, -0.1574725046 ] - [ -0.5665247726, 0.2179287023, 0.2973843918, -0.2063379211, 0.0176028691, -0.0153069314, 0.4251716384, -0.1540504243, -0.2797501043, 0.0993449853, 0.4274487850, -0.1570201244 ] - [ -0.3623987351, -0.0083402959, -0.5897249803, 0.1301562721, -0.0611484695, 0.0119359939, -0.0742881721, 0.0383666151, 0.4815131959, -0.2602161690, 0.3856564609, -0.2114491369 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.01243275614655, 0.00000000000000 ] - [ -0.59958893881779, -0.09453055330867 ] - [ -0.30967623007431, -0.18842219484384 ] - # atom 2 - [ 0.01076708728171, -0.00621638074047 ] - [ -0.56652477257222, 0.21792870231410 ] - [ -0.36239873510545, -0.00834029591311 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.06535433577960, 0.00000000000000 ] - [ 0.36071124374178, -0.03000167266185 ] - [ -0.57579470315902, -0.18214377385534 ] - # atom 2 - [ 0.05659853931681, -0.03267718191026 ] - [ 0.29738439177615, -0.20633792108338 ] - [ -0.58972498025568, 0.13015627212422 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70397018604419, 0.00000000000000 ] - [ 0.02289798772455, -0.00445475500092 ] - [ -0.05892409969285, -0.02023735214960 ] - # atom 2 - [ -0.60965632620078, 0.35198524404475 ] - [ 0.01760286911725, -0.01530693142829 ] - [ -0.06114846954034, 0.01193599390077 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.53712833484725, 0.00000000000000 ] - [ -0.44523484294774, -0.07917427228126 ] - [ 0.08351878763462, 0.00391762435689 ] - # atom 2 - [ -0.46516658348559, 0.26856405219310 ] - [ 0.42517163835899, -0.15405042425494 ] - [ -0.07428817208919, 0.03836661514011 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.33511628199218, 0.00000000000000 ] - [ 0.29194331492300, 0.05383979418395 ] - [ -0.54711097915609, -0.01540279178948 ] - # atom 2 - [ -0.29021908890549, 0.16755806910335 ] - [ -0.27975010425061, 0.09934498533850 ] - [ 0.48151319593504, -0.26021616895037 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.31494514439545, 0.00000000000000 ] - [ -0.44869176132336, -0.07774100924791 ] - [ -0.43971304941714, -0.00970791048481 ] - # atom 2 - [ 0.27275037881863, -0.15747250463232 ] - [ 0.42744878499737, -0.15702012436576 ] - [ 0.38565646094325, -0.21144913688634 ] - q-position: [ 0.5000000, 0.0000000, 0.3333333 ] dynamical_matrix: - [ -0.3957747178, 0.0000000000, 0.3876513262, 0.0000000000, 0.4394183091, 0.0000000000, -0.4436525764, 0.0000000000, 0.0874878834, 0.0000000000, 0.5436162555, 0.0000000000 ] - [ -0.5435296805, 0.0086696876, -0.0448909014, 0.0048132706, -0.4499432189, 0.0035623741, 0.5501537470, 0.0056707882, 0.0575525898, -0.0236044695, 0.4397255796, 0.0084268357 ] - [ 0.2171266263, 0.0268020940, 0.5838745542, 0.0823299582, -0.3195281424, -0.0484907566, 0.0186512671, -0.0111171086, 0.6021217524, 0.3548607693, -0.0816820221, -0.0661829942 ] - [ -0.3822893055, 0.1024341107, 0.3744427059, -0.1003316207, 0.4244458088, -0.1137299117, 0.4285351630, -0.1148256509, -0.0845067433, 0.0226435136, -0.5250925905, 0.1406981356 ] - [ -0.5227658640, 0.1490502188, -0.0421155462, 0.0162678947, -0.4336900876, 0.1198949526, -0.5328750246, 0.1369126049, -0.0494822099, 0.0376958450, -0.4269230021, 0.1056695779 ] - [ 0.2166652693, -0.0303076938, 0.5852885074, -0.0715932749, -0.3211910549, 0.0358615212, -0.0151384099, 0.0155655938, -0.6734491762, -0.1869284659, 0.0960281227, 0.0427869686 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.39577471783900, 0.00000000000000 ] - [ -0.54352968048215, 0.00866968758521 ] - [ 0.21712662630176, 0.02680209404182 ] - # atom 2 - [ -0.38228930545293, 0.10243411067138 ] - [ -0.52276586396595, 0.14905021879930 ] - [ 0.21666526932229, -0.03030769377555 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.38765132623251, 0.00000000000000 ] - [ -0.04489090137670, 0.00481327062107 ] - [ 0.58387455423073, 0.08232995818146 ] - # atom 2 - [ 0.37444270587192, -0.10033162065032 ] - [ -0.04211554619754, 0.01626789471950 ] - [ 0.58528850736410, -0.07159327490606 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.43941830914545, 0.00000000000000 ] - [ -0.44994321893412, 0.00356237413288 ] - [ -0.31952814236188, -0.04849075659194 ] - # atom 2 - [ 0.42444580877662, -0.11372991169271 ] - [ -0.43369008755942, 0.11989495255344 ] - [ -0.32119105494551, 0.03586152121185 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.44365257644757, 0.00000000000000 ] - [ 0.55015374695153, 0.00567078817125 ] - [ 0.01865126705807, -0.01111710855692 ] - # atom 2 - [ 0.42853516302226, -0.11482565086039 ] - [ -0.53287502458080, 0.13691260494853 ] - [ -0.01513840987321, 0.01556559383107 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.08748788344420, 0.00000000000000 ] - [ 0.05755258981502, -0.02360446945625 ] - [ 0.60212175238237, 0.35486076926467 ] - # atom 2 - [ -0.08450674330450, 0.02264351362347 ] - [ -0.04948220985435, 0.03769584498891 ] - [ -0.67344917616492, -0.18692846586530 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.54361625549581, 0.00000000000000 ] - [ 0.43972557956286, 0.00842683567480 ] - [ -0.08168202212206, -0.06618299418118 ] - # atom 2 - [ -0.52509259054866, 0.14069813558937 ] - [ -0.42692300207223, 0.10566957786877 ] - [ 0.09602812270345, 0.04278696857566 ] - q-position: [ 0.5000000, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, 0.0000000002, 0.0000000000, -0.0000000003, 0.0000000000, 0.9891146345, 0.0000000000, -0.1471470005, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, -0.0000000005, 0.0000000000, 0.0000000002, 0.0000000000, -0.1471470005, 0.0000000000, -0.9891146345, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2355711279, 0.0000000000, -0.9691586550, 0.0000000000, -0.0723722673, 0.0000000000, 0.0000000002, 0.0000000000, 0.0000000004, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1191211467, 0.0000000000, 0.1027004399, 0.0000000000, -0.9875539338, 0.0000000000, -0.0000000004, 0.0000000000, -0.0000000002, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.9645291059, 0.0000000000, 0.2240181265, 0.0000000000, 0.1396405487, 0.0000000000, -0.0000000001, 0.0000000000, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000008413, 0.00000000000000 ] - [ 0.00000000013538, 0.00000000000000 ] - # atom 2 - [ 0.23557112788278, 0.00000000000000 ] - [ 0.11912114666554, 0.00000000000000 ] - [ 0.96452910589838, 0.00000000000000 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000019242, 0.00000000000000 ] - [ -0.00000000046106, 0.00000000000000 ] - # atom 2 - [ -0.96915865503560, 0.00000000000000 ] - [ 0.10270043985877, 0.00000000000000 ] - [ 0.22401812654872, 0.00000000000000 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000033919, 0.00000000000000 ] - [ 0.00000000024163, 0.00000000000000 ] - # atom 2 - [ -0.07237226732400, 0.00000000000000 ] - [ -0.98755393375243, 0.00000000000000 ] - [ 0.13964054874026, 0.00000000000000 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.98911463453530, 0.00000000000000 ] - [ -0.14714700047263, 0.00000000000000 ] - # atom 2 - [ 0.00000000020845, 0.00000000000000 ] - [ -0.00000000040048, 0.00000000000000 ] - [ -0.00000000006707, 0.00000000000000 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14714700047263, 0.00000000000000 ] - [ -0.98911463453530, 0.00000000000000 ] - # atom 2 - [ 0.00000000043531, 0.00000000000000 ] - [ -0.00000000021324, 0.00000000000000 ] - [ 0.00000000007168, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.0000000, 0.6666667 ] dynamical_matrix: - [ -0.3039233908, 0.0000000000, 0.6353758465, 0.0000000000, 0.0626716417, 0.0000000000, -0.0897216070, 0.0000000000, -0.6997179252, 0.0000000000, 0.0484275747, 0.0000000000 ] - [ 0.6340828125, -0.0499992519, 0.2951215653, -0.0266184698, 0.0829639046, 0.0273934203, -0.6809949433, -0.0072301402, 0.0752421333, 0.0015154885, -0.1745222918, 0.0085016585 ] - [ -0.0329993466, 0.0445006268, -0.0806943317, 0.0445006268, 0.6580640759, -0.2353511352, -0.1672750820, -0.0127696528, 0.0687465638, 0.0023305377, 0.6833919311, 0.0100150639 ] - [ 0.2935676706, 0.0786612203, -0.6137263956, -0.1644474921, -0.0605362023, -0.0162206265, -0.0866643530, -0.0232216434, -0.6758751128, -0.1811001907, 0.0467774103, 0.0125339693 ] - [ -0.6254181880, -0.1158172254, -0.2919551257, -0.0506716519, -0.0730470935, -0.0479326863, -0.6559188179, -0.1832381039, 0.0722860287, 0.0209379310, -0.1707758531, -0.0369576940 ] - [ 0.0433925631, -0.0344434709, 0.0894624152, -0.0220990912, -0.6965549600, 0.0570122664, -0.1582701748, -0.0556284731, 0.0658008450, 0.0200440317, 0.6575133378, 0.1865485173 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.30392339082820, 0.00000000000000 ] - [ 0.63408281247820, -0.04999925188074 ] - [ -0.03299934664512, 0.04450062676181 ] - # atom 2 - [ 0.29356767058040, 0.07866122025607 ] - [ -0.62541818798860, -0.11581722542521 ] - [ 0.04339256314754, -0.03444347088438 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.63537584645528, 0.00000000000000 ] - [ 0.29512156525907, -0.02661846981522 ] - [ -0.08069433168060, 0.04450062676181 ] - # atom 2 - [ -0.61372639558489, -0.16444749207098 ] - [ -0.29195512568599, -0.05067165191572 ] - [ 0.08946241521479, -0.02209909122752 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.06267164168368, 0.00000000000000 ] - [ 0.08296390458081, 0.02739342027111 ] - [ 0.65806407587601, -0.23535113523261 ] - # atom 2 - [ -0.06053620226595, -0.01622062651004 ] - [ -0.07304709349298, -0.04793268629327 ] - [ -0.69655495997439, 0.05701226640169 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.08972160704307, 0.00000000000000 ] - [ -0.68099494329298, -0.00723014015627 ] - [ -0.16727508199513, -0.01276965282364 ] - # atom 2 - [ -0.08666435301399, -0.02322164340271 ] - [ -0.65591881787826, -0.18323810387339 ] - [ -0.15827017482430, -0.05562847310603 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.69971792517859, 0.00000000000000 ] - [ 0.07524213327042, 0.00151548853692 ] - [ 0.06874656377177, 0.00233053773744 ] - # atom 2 - [ -0.67587511276729, -0.18110019065067 ] - [ 0.07228602873525, 0.02093793104169 ] - [ 0.06580084496376, 0.02004403168344 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.04842757469428, 0.00000000000000 ] - [ -0.17452229181032, 0.00850165847286 ] - [ 0.68339193113850, 0.01001506394936 ] - # atom 2 - [ 0.04677741033887, 0.01253396932435 ] - [ -0.17077585313752, -0.03695769396502 ] - [ 0.65751333784175, 0.18654851733452 ] - q-position: [ 0.5000000, 0.0000000, 0.8333333 ] dynamical_matrix: - [ -0.6980386142, 0.0000000000, 0.0771078494, 0.0000000000, 0.0824394208, 0.0000000000, -0.2993961033, 0.0000000000, -0.2424763444, 0.0000000000, 0.5929312020, 0.0000000000 ] - [ -0.1028767704, 0.0059411818, -0.6416757521, 0.0643628592, -0.2709106970, -0.0098946275, 0.6221661556, -0.1107539667, -0.2160863620, 0.0353256936, 0.2257905993, -0.0414781022 ] - [ 0.0460002026, -0.0026329423, -0.2689194476, 0.0764601021, 0.6410248569, -0.0938091188, -0.1047183008, 0.0062529191, -0.6268268631, 0.0187696602, -0.3092145209, 0.0108331256 ] - [ 0.6045194321, 0.3490194569, -0.0667773851, -0.0385539413, -0.0713946633, -0.0412197281, -0.2592845200, -0.1496979874, -0.2099905840, -0.1212381202, 0.5134932633, 0.2964654738 ] - [ 0.0920645270, 0.0462931907, 0.5878891842, 0.2650981187, 0.2296683306, 0.1440244091, 0.5941884245, 0.2151672368, -0.2047990379, -0.0774501997, 0.2162793532, 0.0769741764 ] - [ -0.0411538328, -0.0207199153, 0.2711212406, 0.0682433623, -0.6020486282, -0.2392714512, -0.0938151280, -0.0469439435, -0.5522325804, -0.2971583015, -0.2732040760, -0.1452254362 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69803861420559, 0.00000000000000 ] - [ -0.10287677038320, 0.00594118176787 ] - [ 0.04600020257895, -0.00263294227840 ] - # atom 2 - [ 0.60451943210014, 0.34901945685295 ] - [ 0.09206452699637, 0.04629319071465 ] - [ -0.04115383280930, -0.02071991527976 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.07710784942264, 0.00000000000000 ] - [ -0.64167575213337, 0.06436285915166 ] - [ -0.26891944760464, 0.07646010209921 ] - # atom 2 - [ -0.06677738508275, -0.03855394125326 ] - [ 0.58788918415600, 0.26509811872397 ] - [ 0.27112124057436, 0.06824336228884 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.08243942081940, 0.00000000000000 ] - [ -0.27091069704996, -0.00989462754321 ] - [ 0.64102485690520, -0.09380911876785 ] - # atom 2 - [ -0.07139466333553, -0.04121972809542 ] - [ 0.22966833057230, 0.14402440913346 ] - [ -0.60204862823655, -0.23927145115463 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.29939610328972, 0.00000000000000 ] - [ 0.62216615563184, -0.11075396665510 ] - [ -0.10471830081025, 0.00625291908760 ] - # atom 2 - [ -0.25928451999425, -0.14969798741520 ] - [ 0.59418842453683, 0.21516723680259 ] - [ -0.09381512803425, -0.04694394348560 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.24247634444549, 0.00000000000000 ] - [ -0.21608636202157, 0.03532569363454 ] - [ -0.62682686308652, 0.01876966023395 ] - # atom 2 - [ -0.20999058400794, -0.12123812020412 ] - [ -0.20479903786813, -0.07745019968602 ] - [ -0.55223258038326, -0.29715830146101 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.59293120195314, 0.00000000000000 ] - [ 0.22579059932485, -0.04147810218437 ] - [ -0.30921452094817, 0.01083312564403 ] - # atom 2 - [ 0.51349326326823, 0.29646547377461 ] - [ 0.21627935324628, 0.07697417644329 ] - [ -0.27320407596111, -0.14522543615329 ] - q-position: [ 0.5000000, 0.1666667, 0.0000000 ] dynamical_matrix: - [ 0.0281941368, 0.0000000000, -0.7063556115, 0.0000000000, -0.0163286948, 0.0000000000, 0.2703430583, 0.0000000000, -0.6528741663, 0.0000000000, -0.0258876096, 0.0000000000 ] - [ 0.6933371170, 0.0587652408, 0.0293009336, 0.0046572622, -0.0703569596, -0.0999986875, -0.6433265095, -0.1118945200, -0.2651497342, -0.0457212719, -0.0312676399, -0.0154386386 ] - [ -0.1136833703, 0.0459484062, 0.0097024264, 0.0093361527, -0.6160056247, -0.3245310313, 0.0200858054, -0.0110464623, 0.0361790867, -0.0071968721, -0.7026656123, 0.0661442861 ] - [ 0.0244168492, -0.0140970745, -0.6117221661, 0.3531779573, -0.0141410706, 0.0081643509, -0.2341238558, 0.1351714712, 0.5654053709, -0.3264369431, 0.0224193179, -0.0129437992 ] - [ 0.6298304474, -0.2957764940, 0.0277039958, -0.0106171640, -0.1109303057, -0.0514229460, 0.6130840971, -0.2247596614, 0.2524869332, -0.0929790442, 0.0347978748, -0.0022635657 ] - [ -0.0754785160, 0.0966342136, 0.0130706297, 0.0032341335, -0.6957423340, 0.0269507064, -0.0118715815, 0.0196094113, -0.0277335603, 0.0243222070, 0.5754538807, -0.4086152629 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.02819413680430, 0.00000000000000 ] - [ 0.69333711704508, 0.05876524082728 ] - [ -0.11368337033036, 0.04594840615311 ] - # atom 2 - [ 0.02441684918661, -0.01409707445064 ] - [ 0.62983044739688, -0.29577649401229 ] - [ -0.07547851600227, 0.09663421361907 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70635561146258, 0.00000000000000 ] - [ 0.02930093357435, 0.00465726220353 ] - [ 0.00970242644418, 0.00933615266286 ] - # atom 2 - [ -0.61172216609831, 0.35317795726569 ] - [ 0.02770399581845, -0.01061716396222 ] - [ 0.01307062971853, 0.00323413354521 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.01632869483059, 0.00000000000000 ] - [ -0.07035695956029, -0.09999868753984 ] - [ -0.61600562466724, -0.32453103134352 ] - # atom 2 - [ -0.01414107060131, 0.00816435091829 ] - [ -0.11093030567796, -0.05142294603808 ] - [ -0.69574233402328, 0.02695070643689 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.27034305834512, 0.00000000000000 ] - [ -0.64332650949096, -0.11189452002307 ] - [ 0.02008580543744, -0.01104646232193 ] - # atom 2 - [ -0.23412385581038, 0.13517147117567 ] - [ 0.61308409710849, -0.22475966142538 ] - [ -0.01187158150972, 0.01960941129782 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65287416628804, 0.00000000000000 ] - [ -0.26514973416944, -0.04572127194989 ] - [ 0.03617908674079, -0.00719687208205 ] - # atom 2 - [ 0.56540537088697, -0.32643694308246 ] - [ 0.25248693324020, -0.09297904418900 ] - [ -0.02773356026285, 0.02432220698552 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.02588760955768, 0.00000000000000 ] - [ -0.03126763987628, -0.01543863863882 ] - [ -0.70266561233246, 0.06614428607750 ] - # atom 2 - [ 0.02241931790096, -0.01294379922515 ] - [ 0.03479787483825, -0.00226356570585 ] - [ 0.57545388070246, -0.40861526290347 ] - q-position: [ 0.5000000, 0.1666667, 0.1666667 ] dynamical_matrix: - [ -0.0228596700, 0.0000000000, 0.1946153954, 0.0000000000, -0.6794130537, 0.0000000000, 0.7071069126, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0825990436, -0.0337131017, 0.6708839892, 0.0746863146, 0.1893931317, 0.0225279408, 0.0000000000, -0.0000000000, -0.6964216806, 0.1196142968, 0.0081536545, -0.0249592954 ] - [ 0.6027162337, -0.3581217895, -0.0803821469, 0.0000000000, -0.0433042865, 0.0120494387, 0.0000000000, 0.0000000000, -0.0145257947, -0.0218734953, -0.7030631923, 0.0708017293 ] - [ -0.0220807538, 0.0059165202, 0.1879841064, -0.0503701895, -0.6562628592, 0.1758451031, -0.6830125750, 0.1830126679, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0710589830, -0.0539425812, 0.6673546602, -0.1014961510, 0.1887704474, -0.0272582398, -0.0000000000, 0.0000000000, 0.6417329908, -0.2957856230, -0.0014158839, 0.0262191394 ] - [ 0.4894906183, -0.5019137120, -0.0776432205, 0.0208044382, -0.0387101189, 0.0228468466, -0.0000000000, 0.0000000000, 0.0196921101, 0.0173686153, 0.6607818135, -0.2503552699 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.02285966999830, 0.00000000000000 ] - [ 0.08259904358386, -0.03371310166587 ] - [ 0.60271623369737, -0.35812178949573 ] - # atom 2 - [ -0.02208075383652, 0.00591652015874 ] - [ 0.07105898304779, -0.05394258121389 ] - [ 0.48949061834842, -0.50191371200337 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.19461539537970, 0.00000000000000 ] - [ 0.67088398920006, 0.07468631459965 ] - [ -0.08038214689247, 0.00000000000000 ] - # atom 2 - [ 0.18798410644139, -0.05037018951065 ] - [ 0.66735466021305, -0.10149615103015 ] - [ -0.07764322050648, 0.02080443823238 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.67941305373099, 0.00000000000000 ] - [ 0.18939313165526, 0.02252794075697 ] - [ -0.04330428646067, 0.01204943867669 ] - # atom 2 - [ -0.65626285916927, 0.17584510313621 ] - [ 0.18877044744527, -0.02725823982207 ] - [ -0.03871011885289, 0.02284684657003 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301257499636, 0.18301266788981 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69642168064199, 0.11961429684760 ] - [ -0.01452579472687, -0.02187349532416 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.64173299077582, -0.29578562298301 ] - [ 0.01969211012975, 0.01736861527050 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00815365446116, -0.02495929544421 ] - [ -0.70306319233075, 0.07080172927442 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00141588388329, 0.02621913939483 ] - [ 0.66078181349173, -0.25035526991079 ] - q-position: [ 0.5000000, 0.1666667, 0.3333333 ] dynamical_matrix: - [ -0.5483717984, 0.0000000000, -0.3828184086, 0.0000000000, 0.2296480398, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450567072, 0.0000000000, -0.4404400473, -0.0000000000, 0.3285374828, 0.0000000000, 0.7013257533, -0.0000000000, -0.0000000000, -0.0000000000, -0.0902352606, -0.0000000000 ] - [ 0.0348236062, -0.0000000000, -0.3993274549, -0.0000000000, -0.5825158244, -0.0000000000, 0.0902352606, -0.0000000000, 0.0000000000, 0.0000000000, 0.7013257533, -0.0000000000 ] - [ -0.5483720337, -0.0000000000, -0.3828185729, -0.0000000000, 0.2296481383, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066295, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450568981, 0.0000000000, -0.4404402363, -0.0000000000, 0.3285376237, 0.0000000000, -0.7013254524, -0.0000000000, -0.0000000000, -0.0000000000, 0.0902352219, 0.0000000000 ] - [ 0.0348236212, 0.0000000000, -0.3993276262, -0.0000000000, -0.5825160744, -0.0000000000, -0.0902352219, 0.0000000000, -0.0000000000, -0.0000000000, -0.7013254524, -0.0000000000 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.54837179843291, 0.00000000000000 ] - [ 0.44505670717734, 0.00000000000000 ] - [ 0.03482360621193, -0.00000000000000 ] - # atom 2 - [ -0.54837203371771, -0.00000000000000 ] - [ 0.44505689813369, 0.00000000000000 ] - [ 0.03482362115337, 0.00000000000000 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.38281840861924, 0.00000000000000 ] - [ -0.44044004732164, -0.00000000000000 ] - [ -0.39932745486285, -0.00000000000000 ] - # atom 2 - [ -0.38281857287157, -0.00000000000000 ] - [ -0.44044023629716, -0.00000000000000 ] - [ -0.39932762619857, -0.00000000000000 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.22964803978127, 0.00000000000000 ] - [ 0.32853748276485, 0.00000000000000 ] - [ -0.58251582443127, -0.00000000000000 ] - # atom 2 - [ 0.22964813831422, 0.00000000000000 ] - [ 0.32853762372738, 0.00000000000000 ] - [ -0.58251607436593, -0.00000000000000 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70132575332383, -0.00000000000000 ] - [ 0.09023526059736, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70132545241263, -0.00000000000000 ] - [ -0.09023522188097, 0.00000000000000 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710662949069, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09023526059736, -0.00000000000000 ] - [ 0.70132575332383, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09023522188097, 0.00000000000000 ] - [ -0.70132545241263, -0.00000000000000 ] - q-position: [ 0.5000000, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0813307556, 0.0000000000, 0.3879437452, 0.0000000000, 0.5855634783, -0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000 ] - [ -0.0531980041, 0.0294909708, -0.5827703452, 0.0338616724, 0.3934820950, -0.0265299110, -0.5900274003, -0.0115976448, -0.3894794622, 0.0062675085, -0.0000000000, 0.0000000000 ] - [ -0.6752847075, -0.1835095515, 0.0818746052, 0.0450326530, 0.0395493835, -0.0043465238, -0.3891180284, -0.0179079070, 0.5901104004, 0.0060459700, 0.0000000000, 0.0000000000 ] - [ 0.0785595357, 0.0210499641, 0.3747251611, 0.1004073043, 0.5656113070, 0.1515550929, -0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6830124481, -0.1830126339 ] - [ -0.0590181949, 0.0147174447, -0.5716773978, -0.1181242881, 0.3869412515, 0.0762147905, 0.5669205915, 0.1639126712, 0.3778301412, 0.0947506838, -0.0000000000, -0.0000000000 ] - [ -0.6047796216, -0.3520334199, 0.0674295375, 0.0646889578, 0.0393267633, 0.0060377186, 0.3712239698, 0.1180087787, -0.5684376415, -0.1585716511, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.08133075561070, 0.00000000000000 ] - [ -0.05319800413197, 0.02949097082871 ] - [ -0.67528470745086, -0.18350955150442 ] - # atom 2 - [ 0.07855953569784, 0.02104996414804 ] - [ -0.05901819486678, 0.01471744467229 ] - [ -0.60477962158181, -0.35203341993915 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.38794374522080, 0.00000000000000 ] - [ -0.58277034524304, 0.03386167244074 ] - [ 0.08187460516853, 0.04503265304179 ] - # atom 2 - [ 0.37472516113472, 0.10040730430988 ] - [ -0.57167739783691, -0.11812428812292 ] - [ 0.06742953750133, 0.06468895780117 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.58556347833386, -0.00000000000000 ] - [ 0.39348209499990, -0.02652991100383 ] - [ 0.03954938345484, -0.00434652379596 ] - # atom 2 - [ 0.56561130699086, 0.15155509293843 ] - [ 0.38694125153250, 0.07621479052463 ] - [ 0.03932676325708, 0.00603771855805 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.59002740025537, -0.01159764482857 ] - [ -0.38911802840200, -0.01790790697592 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.56692059145489, 0.16391267117022 ] - [ 0.37122396984785, 0.11800877868738 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.38947946222726, 0.00626750850688 ] - [ 0.59011040040333, 0.00604597002170 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.37783014115498, 0.09475068375317 ] - [ -0.56843764148622, -0.15857165108336 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301244809999, -0.18301263388918 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000006, -0.0000000000, 0.0000000002, 0.0000000000, 0.0000000001, -0.0000000001, 0.9318426799, 0.0403371449, 0.0000000000, 0.0000000000, 0.3597007893, -0.0256413123 ] - [ 0.0000000002, -0.0000000000, -0.0000000001, 0.0000000000, -0.0000000003, 0.0000000001, -0.3564811786, -0.0544362381, 0.0000000000, 0.0000000000, 0.9320731975, 0.0346037524 ] - [ -0.9378295208, -0.2679512845, 0.1859803736, 0.0531372482, -0.1020558485, -0.0291588131, 0.0000000004, 0.0000000002, 0.0000000000, 0.0000000000, 0.0000000003, 0.0000000001 ] - [ -0.1762819965, -0.0503662834, -0.9507369699, -0.1880313892, -0.1126437800, 0.1201777219, 0.0000000004, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1180201393, -0.0337200389, -0.0577873699, -0.1413922352, 0.9792231952, 0.0522014886, -0.0000000001, -0.0000000001, 0.0000000000, 0.0000000000, 0.0000000003, 0.0000000001 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000061915, -0.00000000004576 ] - [ 0.00000000017129, -0.00000000002621 ] - # atom 2 - [ -0.93782952076828, -0.26795128451625 ] - [ -0.17628199650360, -0.05036628336439 ] - [ -0.11802013932279, -0.03372003891789 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000024041, 0.00000000000156 ] - [ -0.00000000010663, 0.00000000001848 ] - # atom 2 - [ 0.18598037359551, 0.05313724818369 ] - [ -0.95073696986861, -0.18803138920352 ] - [ -0.05778736989643, -0.14139223519148 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000011017, -0.00000000007530 ] - [ -0.00000000029192, 0.00000000009778 ] - # atom 2 - [ -0.10205584850427, -0.02915881308358 ] - [ -0.11264377999369, 0.12017772188201 ] - [ 0.97922319518195, 0.05220148863068 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.93184267985683, 0.04033714487650 ] - [ -0.35648117863938, -0.05443623808033 ] - # atom 2 - [ 0.00000000043944, 0.00000000018489 ] - [ 0.00000000037016, 0.00000000009358 ] - [ -0.00000000011634, -0.00000000007184 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.35970078932566, -0.02564131234856 ] - [ 0.93207319754541, 0.03460375235462 ] - # atom 2 - [ 0.00000000033043, 0.00000000012285 ] - [ 0.00000000002455, 0.00000000001475 ] - [ 0.00000000026572, 0.00000000010046 ] - q-position: [ 0.5000000, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.0614392691, 0.0000000000, 0.4724955207, 0.0000000000, -0.5224680158, 0.0000000000, -0.0117916520, 0.0000000000, 0.1527402451, 0.0000000000, 0.6903127886, 0.0000000000 ] - [ 0.2150615255, -0.1062041544, 0.4800099279, 0.0289016566, 0.4593884344, 0.0136482951, -0.6961685784, 0.0174057336, 0.1001112741, 0.0607674657, -0.0340425363, -0.0131482357 ] - [ 0.1119517200, -0.6528099837, -0.1180789251, 0.1776517439, -0.0936201449, 0.0838931450, 0.0470440741, -0.1126700249, 0.5551797658, -0.3933589514, -0.1220368035, 0.0851109495 ] - [ -0.0434441561, -0.0434441561, -0.3341050351, -0.3341050351, 0.3694409515, 0.3694409515, -0.0083379509, -0.0083379509, 0.1080035828, 0.1080035828, 0.4881244912, 0.4881244912 ] - [ -0.2271693097, -0.0769738425, -0.3189819548, -0.3598550999, -0.3151861094, -0.3344877277, -0.5045728599, -0.4799574537, 0.0278202530, 0.1137583633, -0.0147744907, -0.0333688901 ] - [ -0.5407685886, 0.3824448302, 0.2091133168, -0.0421243755, 0.1255209443, 0.0068780327, 0.1129348385, -0.0464045204, 0.6707176607, 0.1144245102, -0.1464754720, -0.0261105023 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.06143926906416, 0.00000000000000 ] - [ 0.21506152550116, -0.10620415444700 ] - [ 0.11195171996780, -0.65280998373418 ] - # atom 2 - [ -0.04344415607213, -0.04344415607213 ] - [ -0.22716930967575, -0.07697384245799 ] - [ -0.54076858855407, 0.38244483018560 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.47249552071773, 0.00000000000000 ] - [ 0.48000992793961, 0.02890165655786 ] - [ -0.11807892507139, 0.17765174388643 ] - # atom 2 - [ -0.33410503507144, -0.33410503507144 ] - [ -0.31898195479626, -0.35985509985050 ] - [ 0.20911331682841, -0.04212437546343 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.52246801580685, 0.00000000000000 ] - [ 0.45938843435510, 0.01364829506951 ] - [ -0.09362014489358, 0.08389314497640 ] - # atom 2 - [ 0.36944095148181, 0.36944095148181 ] - [ -0.31518610936786, -0.33448772770251 ] - [ 0.12552094429925, 0.00687803271348 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ -0.01179165204855, 0.00000000000000 ] - [ -0.69616857839967, 0.01740573360742 ] - [ 0.04704407405092, -0.11267002486300 ] - # atom 2 - [ -0.00833795092853, -0.00833795092853 ] - [ -0.50457285992486, -0.47995745368726 ] - [ 0.11293483846503, -0.04640452035528 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.15274024509024, 0.00000000000000 ] - [ 0.10011127406195, 0.06076746570489 ] - [ 0.55517976582089, -0.39335895140155 ] - # atom 2 - [ 0.10800358279999, 0.10800358279999 ] - [ 0.02782025301222, 0.11375836329778 ] - [ 0.67071766071875, 0.11442451017789 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.69031278855975, 0.00000000000000 ] - [ -0.03404253632498, -0.01314823570032 ] - [ -0.12203680352530, 0.08511094954304 ] - # atom 2 - [ 0.48812449117820, 0.48812449117820 ] - [ -0.01477449068011, -0.03336889011026 ] - [ -0.14647547204820, -0.02611050234781 ] - q-position: [ 0.5000000, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.0865824636, -0.0000000000, -0.6014560471, 0.0000000000, -0.3615988507, 0.0000000000, -0.0049872520, 0.0000000000, 0.2230315632, 0.0000000000, 0.6709936071, 0.0000000000 ] - [ 0.3612795706, 0.0098304838, -0.2730639815, 0.0265863606, 0.5406998884, -0.0418678871, 0.1023334305, 0.0743414536, -0.6599512467, -0.0031299351, 0.2201218003, 0.0015929122 ] - [ 0.5683391831, 0.1971651893, 0.2430039624, 0.0626781741, -0.2681092482, -0.0570442051, -0.4911107351, -0.4927341697, -0.1195187984, -0.0206665364, 0.0360766052, 0.0032070357 ] - [ 0.0836322999, -0.0224092072, -0.5809623610, 0.1556683955, -0.3492779282, 0.0935887388, 0.0048173120, -0.0012907948, -0.2154317869, 0.0577247733, -0.6481295727, 0.1736657956 ] - [ 0.3515138454, -0.0840105778, -0.2568786864, 0.0963546829, 0.5114401600, -0.1803848363, -0.1180873997, -0.0453224556, 0.6382735657, -0.1677845417, -0.2130334495, 0.0554330380 ] - [ 0.6000040469, 0.0433499759, 0.2509462948, -0.0023515881, -0.2737379772, 0.0142913193, 0.6019050826, 0.3488355893, 0.1207950975, -0.0109713919, -0.0356773400, 0.0062395493 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.08658246360863, -0.00000000000000 ] - [ 0.36127957059731, 0.00983048376580 ] - [ 0.56833918306564, 0.19716518929137 ] - # atom 2 - [ 0.08363229985502, -0.02240920720736 ] - [ 0.35151384540078, -0.08401057775577 ] - [ 0.60000404693072, 0.04334997594173 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.60145604712695, 0.00000000000000 ] - [ -0.27306398150646, 0.02658636058784 ] - [ 0.24300396236113, 0.06267817409877 ] - # atom 2 - [ -0.58096236104237, 0.15566839547451 ] - [ -0.25687868640682, 0.09635468287078 ] - [ 0.25094629479607, -0.00235158813552 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.36159885065151, 0.00000000000000 ] - [ 0.54069988842923, -0.04186788707008 ] - [ -0.26810924821274, -0.05704420512041 ] - # atom 2 - [ -0.34927792816815, 0.09358873878687 ] - [ 0.51144016003244, -0.18038483627751 ] - [ -0.27373797724314, 0.01429131926044 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00498725202576, 0.00000000000000 ] - [ 0.10233343052247, 0.07434145362538 ] - [ -0.49111073510169, -0.49273416974356 ] - # atom 2 - [ 0.00481731195388, -0.00129079484773 ] - [ -0.11808739971604, -0.04532245556906 ] - [ 0.60190508259631, 0.34883558931253 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.22303156317659, 0.00000000000000 ] - [ -0.65995124669623, -0.00312993507016 ] - [ -0.11951879838799, -0.02066653640165 ] - # atom 2 - [ -0.21543178685063, 0.05772477331074 ] - [ 0.63827356574533, -0.16778454167566 ] - [ 0.12079509753755, -0.01097139186691 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.67099360706465, 0.00000000000000 ] - [ 0.22012180030419, 0.00159291216083 ] - [ 0.03607660515702, 0.00320703567103 ] - # atom 2 - [ -0.64812957267774, 0.17366579559009 ] - [ -0.21303344953054, 0.05543303797060 ] - [ -0.03567734004218, 0.00623954927986 ] - q-position: [ 0.5000000, 0.3333333, 0.1666667 ] dynamical_matrix: - [ -0.5483717984, 0.0000000000, 0.3828184086, 0.0000000000, 0.2296480398, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450567072, 0.0000000000, 0.4404400473, 0.0000000000, 0.3285374828, 0.0000000000, 0.7013257533, 0.0000000000, -0.0000000000, 0.0000000000, -0.0902352606, 0.0000000000 ] - [ 0.0348236062, 0.0000000000, 0.3993274549, 0.0000000000, -0.5825158244, 0.0000000000, 0.0902352606, 0.0000000000, 0.0000000000, 0.0000000000, 0.7013257533, 0.0000000000 ] - [ -0.5483720337, 0.0000000000, 0.3828185729, 0.0000000000, 0.2296481383, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066295, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.4450568981, 0.0000000000, 0.4404402363, 0.0000000000, 0.3285376237, 0.0000000000, -0.7013254524, 0.0000000000, -0.0000000000, 0.0000000000, 0.0902352219, 0.0000000000 ] - [ 0.0348236212, 0.0000000000, 0.3993276262, 0.0000000000, -0.5825160744, 0.0000000000, -0.0902352219, 0.0000000000, -0.0000000000, 0.0000000000, -0.7013254524, 0.0000000000 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.54837179843291, 0.00000000000000 ] - [ 0.44505670717734, 0.00000000000000 ] - [ 0.03482360621193, 0.00000000000000 ] - # atom 2 - [ -0.54837203371771, 0.00000000000000 ] - [ 0.44505689813369, 0.00000000000000 ] - [ 0.03482362115337, 0.00000000000000 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.38281840861924, 0.00000000000000 ] - [ 0.44044004732164, 0.00000000000000 ] - [ 0.39932745486285, 0.00000000000000 ] - # atom 2 - [ 0.38281857287157, 0.00000000000000 ] - [ 0.44044023629716, 0.00000000000000 ] - [ 0.39932762619857, 0.00000000000000 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.22964803978127, 0.00000000000000 ] - [ 0.32853748276485, 0.00000000000000 ] - [ -0.58251582443127, 0.00000000000000 ] - # atom 2 - [ 0.22964813831422, 0.00000000000000 ] - [ 0.32853762372738, 0.00000000000000 ] - [ -0.58251607436593, 0.00000000000000 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70132575332383, 0.00000000000000 ] - [ 0.09023526059736, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70132545241263, 0.00000000000000 ] - [ -0.09023522188097, 0.00000000000000 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710662949069, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09023526059736, 0.00000000000000 ] - [ 0.70132575332383, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09023522188097, 0.00000000000000 ] - [ -0.70132545241263, 0.00000000000000 ] - q-position: [ 0.5000000, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.3653370544, 0.0000000000, 0.6000008767, 0.0000000000, -0.0807935574, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.5061562975, 0.0287248930, 0.2512976879, 0.0129879865, -0.4225438121, -0.0334366325, 0.6971917337, -0.1100780960, -0.0000000000, 0.0000000000, 0.0214349294, -0.0367046168 ] - [ -0.3272358875, 0.0492545212, -0.2741094067, 0.0392884157, -0.5559167162, 0.0690473638, -0.0322273067, -0.0277143610, 0.0000000000, 0.0000000000, 0.6949998170, -0.1231615000 ] - [ -0.3528886272, -0.0945562227, 0.5795565579, 0.1552917117, -0.0780406127, -0.0209109191, 0.0000000000, 0.0000000000, -0.6830125750, -0.1830126679, 0.0000000000, 0.0000000000 ] - [ 0.4814750694, 0.1587490645, 0.2393734775, 0.0775860881, -0.3994920920, -0.1416597455, -0.7019255483, -0.0741191954, -0.0000000000, -0.0000000000, -0.0302043946, 0.0299061583 ] - [ -0.3288337254, -0.0371186796, -0.2749380476, -0.0329950518, -0.5548452924, -0.0771872304, 0.0239561745, 0.0351110447, -0.0000000000, -0.0000000000, -0.7031945530, -0.0609142927 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.36533705436870, 0.00000000000000 ] - [ 0.50615629749479, 0.02872489296173 ] - [ -0.32723588752573, 0.04925452123870 ] - # atom 2 - [ -0.35288862724061, -0.09455622268685 ] - [ 0.48147506942743, 0.15874906454641 ] - [ -0.32883372539091, -0.03711867959884 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.60000087666537, 0.00000000000000 ] - [ 0.25129768789851, 0.01298798651587 ] - [ -0.27410940674853, 0.03928841568692 ] - # atom 2 - [ 0.57955655791740, 0.15529171166148 ] - [ 0.23937347750590, 0.07758608805451 ] - [ -0.27493804759964, -0.03299505178222 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.08079355739968, 0.00000000000000 ] - [ -0.42254381206342, -0.03343663248660 ] - [ -0.55591671619029, 0.06904736380975 ] - # atom 2 - [ -0.07804061268826, -0.02091091914656 ] - [ -0.39949209196142, -0.14165974545231 ] - [ -0.55484529237011, -0.07718723038033 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69719173365899, -0.11007809595234 ] - [ -0.03222730665403, -0.02771436096336 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70192554827792, -0.07411919542814 ] - [ 0.02395617446716, 0.03511104470153 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301257499636, -0.18301266788981 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.02143492944884, -0.03670461683908 ] - [ 0.69499981697897, -0.12316150003191 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03020439459716, 0.02990615826470 ] - [ -0.70319455302663, -0.06091429265649 ] - q-position: [ 0.5000000, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.2462320371, 0.0000000000, 0.2401919535, 0.0000000000, 0.6178004491, 0.0000000000, 0.3712737717, -0.0000000000, 0.0000000000, 0.0000000000, -0.6017939855, 0.0000000000 ] - [ -0.5926600896, -0.0444551452, -0.3386511774, 0.1287256460, -0.1045493142, -0.0677648347, -0.5862738878, 0.1034810027, -0.0989902268, 0.0295631587, -0.3616987256, 0.0638420840 ] - [ -0.0785261779, -0.2828090647, 0.4236956977, 0.3626770668, -0.1960243931, -0.2537207047, -0.0879238962, 0.0000000000, 0.6948578604, -0.0806208593, -0.0542442054, 0.0000000000 ] - [ -0.2132432908, -0.1231160714, 0.2080124228, 0.1200960283, 0.5350311129, 0.3089003571, -0.3215323801, -0.1856368062, 0.0000000000, 0.0000000000, 0.5211686556, 0.3008968636 ] - [ -0.4910313314, -0.3348294735, -0.3576434990, -0.0578459340, -0.0566599690, -0.1109607731, 0.5594683417, 0.2035196795, 0.1005095873, 0.0238926567, 0.3451611787, 0.1255604423 ] - [ 0.0733988989, -0.2841830454, 0.1855927839, 0.5259356278, -0.0429017703, -0.3177409086, 0.0761442951, 0.0439619293, -0.6420747133, -0.2776090989, 0.0469768398, 0.0271220911 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.24623203705622, 0.00000000000000 ] - [ -0.59266008955130, -0.04445514521435 ] - [ -0.07852617792645, -0.28280906473115 ] - # atom 2 - [ -0.21324329081062, -0.12311607135225 ] - [ -0.49103133143575, -0.33482947352206 ] - [ 0.07339889891159, -0.28418304537269 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.24019195352548, 0.00000000000000 ] - [ -0.33865117735915, 0.12872564595602 ] - [ 0.42369569773078, 0.36267706682695 ] - # atom 2 - [ 0.20801242278766, 0.12009602829110 ] - [ -0.35764349904328, -0.05784593398232 ] - [ 0.18559278392637, 0.52593562776568 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.61780044905977, 0.00000000000000 ] - [ -0.10454931422734, -0.06776483474313 ] - [ -0.19602439311217, -0.25372070467953 ] - # atom 2 - [ 0.53503111291608, 0.30890035706655 ] - [ -0.05665996900817, -0.11096077309334 ] - [ -0.04290177026442, -0.31774090860470 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.37127377174037, -0.00000000000000 ] - [ -0.58627388779259, 0.10348100266718 ] - [ -0.08792389622588, 0.00000000000000 ] - # atom 2 - [ -0.32153238012921, -0.18563680622056 ] - [ 0.55946834169167, 0.20351967945484 ] - [ 0.07614429506082, 0.04396192925057 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09899022678293, 0.02956315870082 ] - [ 0.69485786044912, -0.08062085928268 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10050958734611, 0.02389265668899 ] - [ -0.64207471332069, -0.27760909889934 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.60179398547010, 0.00000000000000 ] - [ -0.36169872555907, 0.06384208398778 ] - [ -0.05424420543584, 0.00000000000000 ] - # atom 2 - [ 0.52116865564895, 0.30089686363176 ] - [ 0.34516117874946, 0.12556044234235 ] - [ 0.04697683975964, 0.02712209108087 ] - q-position: [ 0.5000000, 0.3333333, 0.6666667 ] dynamical_matrix: - [ -0.1085288841, 0.0000000000, 0.6809280553, 0.0000000000, -0.1567102206, 0.0000000000, 0.0187948849, 0.0000000000, 0.4577275568, 0.0000000000, 0.5386395897, 0.0000000000 ] - [ 0.4800396165, -0.0098513761, -0.0425449323, -0.0029026471, -0.5173127931, -0.0057898904, -0.0678230902, -0.4995786479, -0.2107997492, -0.3039808192, 0.1815009204, 0.2757501002 ] - [ -0.5051746655, 0.0498456023, -0.1852091147, 0.0146866988, -0.4549035751, 0.0292954577, -0.4793529872, -0.1252559002, 0.3844948050, -0.0762150090, -0.3100115302, 0.0691369160 ] - [ -0.0767415669, -0.0767415669, 0.4814892032, 0.4814892032, -0.1108109420, -0.1108109420, -0.0132899807, -0.0132899807, -0.3236620188, -0.3236620188, -0.3808754235, -0.3808754235 ] - [ 0.3464055004, 0.3324735403, -0.0280313495, -0.0321363155, -0.3617015821, -0.3698897296, -0.3052970558, 0.4012133185, -0.0658889175, 0.3640045602, 0.0666441846, -0.3233250572 ] - [ -0.3924588867, -0.3219665075, -0.1413477903, -0.1205776462, -0.3423806740, -0.3009506095, 0.2503842654, 0.4275227265, -0.3257707915, -0.2179865722, 0.2680982382, 0.1703239465 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.10852888405410, 0.00000000000000 ] - [ 0.48003961653428, -0.00985137610035 ] - [ -0.50517466546105, 0.04984560232800 ] - # atom 2 - [ -0.07674156690010, -0.07674156690010 ] - [ 0.34640550036697, 0.33247354032422 ] - [ -0.39245888670720, -0.32196650748356 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.68092805531044, 0.00000000000000 ] - [ -0.04254493233954, -0.00290264710688 ] - [ -0.18520911469090, 0.01468669878342 ] - # atom 2 - [ 0.48148920323106, 0.48148920323106 ] - [ -0.02803134954137, -0.03213631549732 ] - [ -0.14134779028174, -0.12057764624031 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.15671022059750, 0.00000000000000 ] - [ -0.51731279310568, -0.00578989035758 ] - [ -0.45490357505431, 0.02929545774589 ] - # atom 2 - [ -0.11081094201538, -0.11081094201538 ] - [ -0.36170158206557, -0.36988972961897 ] - [ -0.34238067397873, -0.30095060952963 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.01879488488013, 0.00000000000000 ] - [ -0.06782309015895, -0.49957864789050 ] - [ -0.47935298722484, -0.12525590018659 ] - # atom 2 - [ -0.01328998067384, -0.01328998067384 ] - [ -0.30529705580390, 0.40121331846809 ] - [ 0.25038426536881, 0.42752272653860 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.45772755680253, 0.00000000000000 ] - [ -0.21079974915299, -0.30398081919803 ] - [ 0.38449480495833, -0.07621500900586 ] - # atom 2 - [ -0.32366201881995, -0.32366201881995 ] - [ -0.06588891754138, 0.36400456019224 ] - [ -0.32577079151506, -0.21798657222298 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.53863958972891, 0.00000000000000 ] - [ 0.18150092044913, 0.27575010024193 ] - [ -0.31001153024984, 0.06913691603552 ] - # atom 2 - [ -0.38087542346335, -0.38087542346335 ] - [ 0.06664418462580, -0.32332505715447 ] - [ 0.26809823820616, 0.17032394654953 ] - q-position: [ 0.5000000, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.0000000004, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ -0.0000000001, -0.0000000001, 0.0000000000, 0.0000000001, -0.0000000003, 0.0000000000, 0.9266275213, -0.0396456347, -0.3444234384, 0.1454721815, 0.0000000001, 0.0000000000 ] - [ 0.0000000000, 0.0000000001, -0.0000000004, -0.0000000001, -0.0000000002, -0.0000000000, 0.3700366023, 0.0535030228, 0.9064596459, -0.1963192549, 0.0000000001, 0.0000000000 ] - [ 0.7887484955, 0.5915613716, -0.1197967119, -0.0898475339, -0.0593679941, -0.0445259956, 0.0000000001, -0.0000000000, -0.0000000002, 0.0000000001, -0.0000000003, -0.0000000002 ] - [ -0.0578019314, -0.0385663608, 0.0073964572, 0.0514049185, -0.7828672400, -0.6161114217, -0.0000000002, -0.0000000002, -0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000 ] - [ -0.1180793528, -0.0957068102, -0.7557924016, -0.6353399412, -0.0436846036, 0.0104944314, -0.0000000001, -0.0000000001, -0.0000000003, -0.0000000001, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000036823, 0.00000000000000 ] - [ -0.00000000012408, -0.00000000008194 ] - [ 0.00000000002149, 0.00000000009244 ] - # atom 2 - [ 0.78874849546522, 0.59156137159529 ] - [ -0.05780193142155, -0.03856636077584 ] - [ -0.11807935280946, -0.09570681019761 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000005593, 0.00000000000000 ] - [ 0.00000000001382, 0.00000000007557 ] - [ -0.00000000036007, -0.00000000010123 ] - # atom 2 - [ -0.11979671188912, -0.08984753391669 ] - [ 0.00739645716596, 0.05140491852737 ] - [ -0.75579240162468, -0.63533994120363 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000002772, 0.00000000000000 ] - [ -0.00000000025418, 0.00000000003328 ] - [ -0.00000000016558, -0.00000000004232 ] - # atom 2 - [ -0.05936799411048, -0.04452599558234 ] - [ -0.78286723997373, -0.61611142165110 ] - [ -0.04368460358321, 0.01049443135408 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000009665, 0.00000000000000 ] - [ 0.92662752126000, -0.03964563465702 ] - [ 0.37003660230571, 0.05350302281395 ] - # atom 2 - [ 0.00000000007828, -0.00000000001129 ] - [ -0.00000000023585, -0.00000000019004 ] - [ -0.00000000009362, -0.00000000012272 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000002634, 0.00000000000000 ] - [ -0.34442343836735, 0.14547218153101 ] - [ 0.90645964589922, -0.19631925493968 ] - # atom 2 - [ -0.00000000016284, 0.00000000008323 ] - [ -0.00000000004757, 0.00000000001258 ] - [ -0.00000000033301, -0.00000000005709 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000008049, 0.00000000000000 ] - [ 0.00000000005964, 0.00000000000000 ] - # atom 2 - [ -0.00000000029879, -0.00000000022409 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, 0.0000000002, 0.0000000000, -0.0000000003, 0.0000000000, 0.9891146345, 0.0000000000, -0.1471470005, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, -0.0000000005, 0.0000000000, 0.0000000002, 0.0000000000, -0.1471470005, 0.0000000000, -0.9891146345, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2355711279, 0.0000000000, -0.9691586550, 0.0000000000, -0.0723722673, 0.0000000000, 0.0000000002, 0.0000000000, 0.0000000004, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1191211467, 0.0000000000, 0.1027004399, 0.0000000000, -0.9875539338, 0.0000000000, -0.0000000004, 0.0000000000, -0.0000000002, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.9645291059, 0.0000000000, 0.2240181265, 0.0000000000, 0.1396405487, 0.0000000000, -0.0000000001, 0.0000000000, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000008413, 0.00000000000000 ] - [ 0.00000000013538, 0.00000000000000 ] - # atom 2 - [ 0.23557112788278, 0.00000000000000 ] - [ 0.11912114666554, 0.00000000000000 ] - [ 0.96452910589838, 0.00000000000000 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000019242, 0.00000000000000 ] - [ -0.00000000046106, 0.00000000000000 ] - # atom 2 - [ -0.96915865503560, 0.00000000000000 ] - [ 0.10270043985877, 0.00000000000000 ] - [ 0.22401812654872, 0.00000000000000 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000033919, 0.00000000000000 ] - [ 0.00000000024163, 0.00000000000000 ] - # atom 2 - [ -0.07237226732400, 0.00000000000000 ] - [ -0.98755393375243, 0.00000000000000 ] - [ 0.13964054874026, 0.00000000000000 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.98911463453530, 0.00000000000000 ] - [ -0.14714700047263, 0.00000000000000 ] - # atom 2 - [ 0.00000000020845, 0.00000000000000 ] - [ -0.00000000040048, 0.00000000000000 ] - [ -0.00000000006707, 0.00000000000000 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14714700047263, 0.00000000000000 ] - [ -0.98911463453530, 0.00000000000000 ] - # atom 2 - [ 0.00000000043531, 0.00000000000000 ] - [ -0.00000000021324, 0.00000000000000 ] - [ 0.00000000007168, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0813307556, 0.0000000000, 0.3879437452, 0.0000000000, 0.5855634783, -0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000 ] - [ -0.0531980041, 0.0294909708, -0.5827703452, 0.0338616724, 0.3934820950, -0.0265299110, -0.5900274003, -0.0115976448, -0.3894794622, 0.0062675085, -0.0000000000, 0.0000000000 ] - [ -0.6752847075, -0.1835095515, 0.0818746052, 0.0450326530, 0.0395493835, -0.0043465238, -0.3891180284, -0.0179079070, 0.5901104004, 0.0060459700, 0.0000000000, 0.0000000000 ] - [ 0.0785595357, 0.0210499641, 0.3747251611, 0.1004073043, 0.5656113070, 0.1515550929, -0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6830124481, -0.1830126339 ] - [ -0.0590181949, 0.0147174447, -0.5716773978, -0.1181242881, 0.3869412515, 0.0762147905, 0.5669205915, 0.1639126712, 0.3778301412, 0.0947506838, -0.0000000000, -0.0000000000 ] - [ -0.6047796216, -0.3520334199, 0.0674295375, 0.0646889578, 0.0393267633, 0.0060377186, 0.3712239698, 0.1180087787, -0.5684376415, -0.1585716511, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.08133075561070, 0.00000000000000 ] - [ -0.05319800413197, 0.02949097082871 ] - [ -0.67528470745086, -0.18350955150442 ] - # atom 2 - [ 0.07855953569784, 0.02104996414804 ] - [ -0.05901819486678, 0.01471744467229 ] - [ -0.60477962158181, -0.35203341993915 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.38794374522080, 0.00000000000000 ] - [ -0.58277034524304, 0.03386167244074 ] - [ 0.08187460516853, 0.04503265304179 ] - # atom 2 - [ 0.37472516113472, 0.10040730430988 ] - [ -0.57167739783691, -0.11812428812292 ] - [ 0.06742953750133, 0.06468895780117 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.58556347833386, -0.00000000000000 ] - [ 0.39348209499990, -0.02652991100383 ] - [ 0.03954938345484, -0.00434652379596 ] - # atom 2 - [ 0.56561130699086, 0.15155509293843 ] - [ 0.38694125153250, 0.07621479052463 ] - [ 0.03932676325708, 0.00603771855805 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.59002740025537, -0.01159764482857 ] - [ -0.38911802840200, -0.01790790697592 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.56692059145489, 0.16391267117022 ] - [ 0.37122396984785, 0.11800877868738 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.38947946222726, 0.00626750850688 ] - [ 0.59011040040333, 0.00604597002170 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.37783014115498, 0.09475068375317 ] - [ -0.56843764148622, -0.15857165108336 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301244809999, -0.18301263388918 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.5000000, 0.3333333 ] dynamical_matrix: - [ 0.0097347073, 0.0000000000, 0.7070227021, 0.0000000000, 0.0048907688, 0.0000000000, 0.3679481011, 0.0000000000, -0.5307402537, 0.0000000000, -0.2879742913, 0.0000000000 ] - [ 0.6699160803, -0.0439349774, -0.0076901811, 0.0005471628, -0.2217042824, 0.0083499364, -0.5845755449, 0.0982327855, -0.3745384904, 0.0713994970, -0.0566398070, -0.0060770017 ] - [ -0.2217807262, -0.0007025003, 0.0076955991, 0.0001537167, -0.6710586714, -0.0208234275, 0.1102152930, 0.0329962228, -0.2677560186, -0.0352809168, 0.6343010837, 0.1071828327 ] - [ 0.0084305075, 0.0048673558, 0.6122998838, 0.3535115027, 0.0042355319, 0.0024453855, -0.3186522661, -0.1839739716, 0.4596343453, 0.2653700130, 0.2493929449, 0.1439870839 ] - [ 0.6021320910, 0.2969093610, -0.0069334765, -0.0033712351, -0.1961765931, -0.1036209286, 0.5553734268, 0.2072155958, 0.3600594414, 0.1254354132, 0.0460129911, 0.0335827269 ] - [ -0.1917165751, -0.1114987940, 0.0065877288, 0.0039809238, -0.5707423880, -0.3535631046, -0.0789510984, -0.0836831778, 0.2142429638, 0.1644321090, -0.4957292231, -0.4099734219 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.00973470733999, 0.00000000000000 ] - [ 0.66991608033401, -0.04393497736837 ] - [ -0.22178072619050, -0.00070250029676 ] - # atom 2 - [ 0.00843050747204, 0.00486735575838 ] - [ 0.60213209100840, 0.29690936104307 ] - [ -0.19171657506043, -0.11149879403804 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.70702270212707, 0.00000000000000 ] - [ -0.00769018106067, 0.00054716282349 ] - [ 0.00769559912500, 0.00015371671114 ] - # atom 2 - [ 0.61229988380826, 0.35351150274105 ] - [ -0.00693347654487, -0.00337123507165 ] - [ 0.00658772881056, 0.00398092384739 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.00489076881748, 0.00000000000000 ] - [ -0.22170428239664, 0.00834993642718 ] - [ -0.67105867138998, -0.02082342745627 ] - # atom 2 - [ 0.00423553185727, 0.00244538545795 ] - [ -0.19617659306857, -0.10362092859194 ] - [ -0.57074238800864, -0.35356310456566 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.36794810113212, 0.00000000000000 ] - [ -0.58457554492466, 0.09823278547898 ] - [ 0.11021529302069, 0.03299622282950 ] - # atom 2 - [ -0.31865226613359, -0.18397397162989 ] - [ 0.55537342678657, 0.20721559584467 ] - [ -0.07895109835194, -0.08368317780442 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.53074025373844, 0.00000000000000 ] - [ -0.37453849042299, 0.07139949697709 ] - [ -0.26775601864950, -0.03528091682503 ] - # atom 2 - [ 0.45963434533759, 0.26537001300914 ] - [ 0.36005944140264, 0.12543541319230 ] - [ 0.21424296383098, 0.16443210901256 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.28797429132689, 0.00000000000000 ] - [ -0.05663980699888, -0.00607700169500 ] - [ 0.63430108368030, 0.10718283267672 ] - # atom 2 - [ 0.24939294492127, 0.14398708388411 ] - [ 0.04601299113663, 0.03358272693710 ] - [ -0.49572922307906, -0.40997342188402 ] - q-position: [ 0.5000000, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.1506821933, -0.0000000000, 0.3294312569, 0.0000000000, -0.6072641417, 0.0000000000, 0.1341883160, 0.0000000000, 0.6942576479, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5251798743, 0.0104369082, -0.3489815112, -0.0106938870, -0.3196313760, -0.0032115257, 0.6776310025, -0.0365567581, -0.1309746654, 0.0070658059, -0.0531233569, 0.1394762851 ] - [ 0.4235898077, -0.1481335082, -0.4965226591, 0.1517816057, -0.1642491883, 0.0455823443, -0.1170925311, -0.0881070299, 0.0226320151, 0.0170296057, -0.6039220887, 0.3361585511 ] - [ 0.1065484403, 0.1065484403, 0.2329431622, 0.2329431622, -0.4294007521, -0.4294007521, -0.0948854330, -0.0948854330, -0.4909141083, -0.4909141083, -0.0000000000, 0.0000000000 ] - [ -0.3787383997, -0.3639783771, -0.2392055619, -0.2543290076, -0.2237427050, -0.2282844899, -0.5050068209, -0.4533077770, 0.0976093171, 0.0876167622, 0.1361884623, -0.0610607184 ] - [ 0.4042695838, 0.1947770897, -0.4584205122, -0.2437688272, -0.1483733547, -0.0839101613, 0.0204958368, 0.1450979472, -0.0039615002, -0.0280449906, 0.6647371482, 0.1893373428 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.15068219333603, -0.00000000000000 ] - [ -0.52517987427143, 0.01043690821141 ] - [ 0.42358980768829, -0.14813350820315 ] - # atom 2 - [ 0.10654844030296, 0.10654844030296 ] - [ -0.37873839974154, -0.36397837711523 ] - [ 0.40426958384671, 0.19477708966125 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.32943125686991, 0.00000000000000 ] - [ -0.34898151122090, -0.01069388702636 ] - [ -0.49652265909924, 0.15178160565651 ] - # atom 2 - [ 0.23294316222392, 0.23294316222392 ] - [ -0.23920556194281, -0.25432900762951 ] - [ -0.45842051221962, -0.24376882722172 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.60726414172076, 0.00000000000000 ] - [ -0.31963137600553, -0.00321152574142 ] - [ -0.16424918828825, 0.04558234431578 ] - # atom 2 - [ -0.42940075213776, -0.42940075213776 ] - [ -0.22374270496150, -0.22828448990855 ] - [ -0.14837335474325, -0.08391016125405 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.13418831601422, 0.00000000000000 ] - [ 0.67763100246591, -0.03655675810160 ] - [ -0.11709253111411, -0.08810702994318 ] - # atom 2 - [ -0.09488543295237, -0.09488543295237 ] - [ -0.50500682088856, -0.45330777699509 ] - [ 0.02049583681827, 0.14509794720499 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.69425764787575, 0.00000000000000 ] - [ -0.13097466535392, 0.00706580593473 ] - [ 0.02263201509716, 0.01702960567055 ] - # atom 2 - [ -0.49091410829094, -0.49091410829094 ] - [ 0.09760931705697, 0.08761676218798 ] - [ -0.00396150022454, -0.02804499057681 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05312335693841, 0.13947628505364 ] - [ -0.60392208865987, 0.33615855109252 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.13618846230212, -0.06106071835681 ] - [ 0.66473714822976, 0.18933734281488 ] - q-position: [ 0.5000000, 0.5000000, 0.6666667 ] dynamical_matrix: - [ -0.0500618577, 0.0000000000, -0.0822047985, 0.0000000000, -0.7005254935, 0.0000000000, 0.1739577475, 0.0000000000, 0.2222738612, 0.0000000000, -0.6483311247, 0.0000000000 ] - [ -0.4919190052, 0.0415004797, -0.4395285386, 0.2337974234, 0.0867316532, -0.0304012650, -0.5672671883, -0.1168718220, -0.3081372821, 0.0543369888, -0.2578487741, -0.0127297091 ] - [ 0.4163897286, -0.2835605620, -0.2692908806, 0.4157860108, 0.0018439861, -0.0285272084, -0.0897893001, 0.3552825811, -0.0383451246, -0.5926407880, -0.0372381679, -0.1078529104 ] - [ -0.0250309396, -0.0433548591, -0.0411024169, -0.0711914744, -0.3502628970, -0.6066731336, -0.0869788364, -0.1506517638, -0.1111368829, -0.1924947278, 0.3241654233, 0.5614709832 ] - [ -0.2819000933, -0.4052642891, -0.4222389585, -0.2637442816, 0.0696941243, 0.0599112082, 0.1824195490, 0.5497034710, 0.2011257674, 0.2396861169, 0.1179000850, 0.2296683447 ] - [ 0.4537657092, 0.2188238957, -0.4947269005, -0.0253197491, 0.0256272912, -0.0126666709, 0.3525782396, -0.0998814328, -0.4940692035, 0.3295281047, -0.0747842442, 0.0861756177 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.05006185766762, 0.00000000000000 ] - [ -0.49191900518162, 0.04150047972774 ] - [ 0.41638972856084, -0.28356056204819 ] - # atom 2 - [ -0.02503093957358, -0.04335485910267 ] - [ -0.28190009325626, -0.40526428911083 ] - [ 0.45376570921839, 0.21882389567343 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.08220479849482, 0.00000000000000 ] - [ -0.43952853857355, 0.23379742339769 ] - [ -0.26929088059901, 0.41578601081845 ] - # atom 2 - [ -0.04110241688280, -0.07119147435496 ] - [ -0.42223895845445, -0.26374428155658 ] - [ -0.49472690047425, -0.02531974906096 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70052549345544, 0.00000000000000 ] - [ 0.08673165321631, -0.03040126503210 ] - [ 0.00184398606864, -0.02852720839653 ] - # atom 2 - [ -0.35026289701138, -0.60667313363072 ] - [ 0.06969412433610, 0.05991120818707 ] - [ 0.02562729120044, -0.01266667085335 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.17395774745750, 0.00000000000000 ] - [ -0.56726718834963, -0.11687182202342 ] - [ -0.08978930013439, 0.35528258112386 ] - # atom 2 - [ -0.08697883640947, -0.15065176384460 ] - [ 0.18241954904661, 0.54970347099980 ] - [ 0.35257823956514, -0.09988143280214 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.22227386116722, 0.00000000000000 ] - [ -0.30813728206718, 0.05433698877208 ] - [ -0.03834512460710, -0.59264078803473 ] - # atom 2 - [ -0.11113688289904, -0.19249472777620 ] - [ 0.20112576738007, 0.23968611689744 ] - [ -0.49406920346784, 0.32952810465058 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.64833112471301, 0.00000000000000 ] - [ -0.25784877414376, -0.01272970907502 ] - [ -0.03723816793650, -0.10785291042355 ] - # atom 2 - [ 0.32416542326956, 0.56147098316064 ] - [ 0.11790008504371, 0.22966834473908 ] - [ -0.07478424424370, 0.08617561766056 ] - q-position: [ 0.5000000, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.4821288656, 0.0000000000, -0.4914849368, 0.0000000000, -0.1612263699, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3604173123, -0.0433817725, -0.1622034013, -0.0376452333, -0.5833230725, -0.0149698815, 0.6348571521, 0.1847024262, -0.0000000000, -0.0000000000, 0.2029921427, -0.1470917121 ] - [ -0.3441558753, 0.1316263718, -0.4419974529, 0.1880248122, 0.3182333541, -0.1795642340, 0.0905252393, 0.2337668985, 0.0000000000, -0.0000000000, -0.6333525137, -0.1897977428 ] - [ 0.1247842253, 0.4657010689, -0.1272057566, -0.4747383465, -0.0417284861, -0.1557328303, -0.0000000000, 0.0000000000, -0.1830126339, -0.6830124481, 0.0000000000, -0.0000000000 ] - [ -0.0513793284, -0.3593646862, -0.0056188306, -0.1664198815, -0.1365154269, -0.5673217328, 0.0140957112, -0.6610289335, -0.0000000000, -0.0000000000, -0.1946177714, -0.1580050993 ] - [ -0.2162155676, -0.2983618581, -0.2960156008, -0.3782726337, 0.2558107741, 0.2609153659, 0.2023716782, -0.1479438821, -0.0000000000, -0.0000000000, -0.0194068343, 0.6608943296 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.48212886555218, 0.00000000000000 ] - [ -0.36041731229470, -0.04338177245680 ] - [ -0.34415587527539, 0.13162637180357 ] - # atom 2 - [ 0.12478422533278, 0.46570106892409 ] - [ -0.05137932838328, -0.35936468617273 ] - [ -0.21621556763272, -0.29836185806596 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.49148493676991, 0.00000000000000 ] - [ -0.16220340132389, -0.03764523325514 ] - [ -0.44199745289243, 0.18802481219139 ] - # atom 2 - [ -0.12720575655084, -0.47473834646199 ] - [ -0.00561883058096, -0.16641988145011 ] - [ -0.29601560075971, -0.37827263367069 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.16122636990346, 0.00000000000000 ] - [ -0.58332307248985, -0.01496988151254 ] - [ 0.31823335412425, -0.17956423402693 ] - # atom 2 - [ -0.04172848611455, -0.15573283030212 ] - [ -0.13651542689100, -0.56732173283425 ] - [ 0.25581077406571, 0.26091536585010 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63485715210827, 0.18470242615793 ] - [ 0.09052523932085, 0.23376689845153 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01409571124338, -0.66102893354503 ] - [ 0.20237167815351, -0.14794388207967 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301263388918, -0.68301244809999 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20299214272037, -0.14709171206950 ] - [ -0.63335251373186, -0.18979774277157 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.19461777143211, -0.15800509930465 ] - [ -0.01940683427444, 0.66089432955850 ] - q-position: [ 0.5000000, 0.6666667, 0.0000000 ] dynamical_matrix: - [ -0.1537190514, 0.0000000000, 0.6823916941, 0.0000000000, -0.1034971376, 0.0000000000, 0.2132336274, 0.0000000000, 0.1787059237, 0.0000000000, 0.6500738301, 0.0000000000 ] - [ -0.6611237164, -0.0390615181, -0.1158690677, -0.0056889168, 0.2179695176, 0.0205071367, -0.4395817143, -0.0008445483, -0.4799915047, 0.0107537133, 0.2761392943, -0.0026791821 ] - [ 0.1942335343, 0.0057485010, 0.1442769006, 0.0082082622, 0.6627812674, 0.0455818969, -0.5100794345, 0.0334359901, 0.4855945218, -0.0418931718, 0.0338230360, 0.0005489846 ] - [ 0.1484813121, 0.0397854477, -0.6591402508, -0.1766160979, 0.0999706324, 0.0267870502, 0.2059677147, 0.0551888828, 0.1726165387, 0.0462524621, 0.6279226348, 0.1682513629 ] - [ 0.6284870743, 0.2088420933, 0.1104486070, 0.0354842195, -0.2052349013, -0.0762230920, -0.4243844300, -0.1145878054, -0.4664191100, -0.1138435689, 0.2674233006, 0.0688821661 ] - [ -0.1861275039, -0.0558240049, -0.1372364319, -0.0452702158, -0.6284005473, -0.2155693064, -0.5013523977, -0.0997215117, 0.4798906838, 0.0852153506, 0.0325284321, 0.0092843173 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.15371905141406, 0.00000000000000 ] - [ -0.66112371637750, -0.03906151811182 ] - [ 0.19423353427651, 0.00574850097208 ] - # atom 2 - [ 0.14848131209804, 0.03978544766787 ] - [ 0.62848707426618, 0.20884209332799 ] - [ -0.18612750387818, -0.05582400490567 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.68239169409614, 0.00000000000000 ] - [ -0.11586906770597, -0.00568891678302 ] - [ 0.14427690063565, 0.00820826223720 ] - # atom 2 - [ -0.65914025081558, -0.17661609790525 ] - [ 0.11044860703615, 0.03548421947522 ] - [ -0.13723643185459, -0.04527021577957 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.10349713756216, 0.00000000000000 ] - [ 0.21796951756395, 0.02050713671702 ] - [ 0.66278126736330, 0.04558189693228 ] - # atom 2 - [ 0.09997063241189, 0.02678705022165 ] - [ -0.20523490133711, -0.07622309202121 ] - [ -0.62840054728743, -0.21556930639058 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.21323362740291, 0.00000000000000 ] - [ -0.43958171426815, -0.00084454826841 ] - [ -0.51007943450654, 0.03343599011215 ] - # atom 2 - [ 0.20596771467580, 0.05518888281438 ] - [ -0.42438443001615, -0.11458780535913 ] - [ -0.50135239769905, -0.09972151168026 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.17870592366765, 0.00000000000000 ] - [ -0.47999150469814, 0.01075371332351 ] - [ 0.48559452184973, -0.04189317176333 ] - # atom 2 - [ 0.17261653870055, 0.04625246214516 ] - [ -0.46641910997919, -0.11384356887242 ] - [ 0.47989068383801, 0.08521535057283 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.65007383009015, 0.00000000000000 ] - [ 0.27613929428324, -0.00267918211890 ] - [ 0.03382303595470, 0.00054898456359 ] - # atom 2 - [ 0.62792263483475, 0.16825136291355 ] - [ 0.26742330062207, 0.06888216606970 ] - [ 0.03252843211795, 0.00928431733680 ] - q-position: [ 0.5000000, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000003, -0.0000000000, 0.0000000003, 0.0000000000, -0.0000000001, 0.0000000001, -0.9906350800, 0.0107335314, 0.0000000000, 0.0000000000, 0.1347032623, -0.0195438167 ] - [ -0.0000000001, 0.0000000000, -0.0000000002, -0.0000000000, 0.0000000002, -0.0000000001, -0.1353407092, -0.0144852360, 0.0000000000, 0.0000000000, -0.9903420774, 0.0263749914 ] - [ 0.0971496181, 0.0161916000, 0.9815981532, 0.1635996618, -0.0000000000, 0.0000000000, 0.0000000003, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000002, -0.0000000000 ] - [ -0.8156722254, -0.1359453456, 0.0807277855, 0.0134546284, 0.4903912542, -0.2627091531, -0.0000000003, -0.0000000001, 0.0000000000, 0.0000000000, 0.0000000002, 0.0000000000 ] - [ -0.5460895120, -0.0910149020, 0.0540469513, 0.0090078236, -0.7324779490, 0.3923982326, -0.0000000001, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000001, -0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000034896, -0.00000000000527 ] - [ -0.00000000007814, 0.00000000000926 ] - # atom 2 - [ 0.09714961811041, 0.01619160000961 ] - [ -0.81567222539547, -0.13594534562611 ] - [ -0.54608951201388, -0.09101490196434 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000031546, 0.00000000002322 ] - [ -0.00000000019758, -0.00000000000957 ] - # atom 2 - [ 0.98159815324146, 0.16359966180614 ] - [ 0.08072778554172, 0.01345462842232 ] - [ 0.05404695125719, 0.00900782355626 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000010165, 0.00000000008967 ] - [ 0.00000000015160, -0.00000000013213 ] - # atom 2 - [ -0.00000000000422, 0.00000000000226 ] - [ 0.49039125424435, -0.26270915305182 ] - [ -0.73247794898307, 0.39239823256102 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.99063507997250, 0.01073353135899 ] - [ -0.13534070921815, -0.01448523595832 ] - # atom 2 - [ 0.00000000031729, 0.00000000002459 ] - [ -0.00000000030871, -0.00000000005461 ] - [ -0.00000000008013, -0.00000000001199 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.13470326225437, -0.01954381668126 ] - [ -0.99034207736334, 0.02637499139765 ] - # atom 2 - [ -0.00000000024912, -0.00000000001742 ] - [ 0.00000000020100, 0.00000000003926 ] - [ -0.00000000012260, -0.00000000002292 ] - q-position: [ 0.5000000, 0.6666667, 0.3333333 ] dynamical_matrix: - [ -0.1085288841, 0.0000000000, 0.6809280553, 0.0000000000, -0.1567102206, 0.0000000000, 0.0187948849, 0.0000000000, 0.4577275568, 0.0000000000, 0.5386395897, 0.0000000000 ] - [ 0.4800396165, -0.0098513761, -0.0425449323, -0.0029026471, -0.5173127931, -0.0057898904, -0.0678230902, -0.4995786479, -0.2107997492, -0.3039808192, 0.1815009204, 0.2757501002 ] - [ -0.5051746655, 0.0498456023, -0.1852091147, 0.0146866988, -0.4549035751, 0.0292954577, -0.4793529872, -0.1252559002, 0.3844948050, -0.0762150090, -0.3100115302, 0.0691369160 ] - [ -0.0767415669, -0.0767415669, 0.4814892032, 0.4814892032, -0.1108109420, -0.1108109420, -0.0132899807, -0.0132899807, -0.3236620188, -0.3236620188, -0.3808754235, -0.3808754235 ] - [ 0.3464055004, 0.3324735403, -0.0280313495, -0.0321363155, -0.3617015821, -0.3698897296, -0.3052970558, 0.4012133185, -0.0658889175, 0.3640045602, 0.0666441846, -0.3233250572 ] - [ -0.3924588867, -0.3219665075, -0.1413477903, -0.1205776462, -0.3423806740, -0.3009506095, 0.2503842654, 0.4275227265, -0.3257707915, -0.2179865722, 0.2680982382, 0.1703239465 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.10852888405410, 0.00000000000000 ] - [ 0.48003961653428, -0.00985137610035 ] - [ -0.50517466546105, 0.04984560232800 ] - # atom 2 - [ -0.07674156690010, -0.07674156690010 ] - [ 0.34640550036697, 0.33247354032422 ] - [ -0.39245888670720, -0.32196650748356 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.68092805531044, 0.00000000000000 ] - [ -0.04254493233954, -0.00290264710688 ] - [ -0.18520911469090, 0.01468669878342 ] - # atom 2 - [ 0.48148920323106, 0.48148920323106 ] - [ -0.02803134954137, -0.03213631549732 ] - [ -0.14134779028174, -0.12057764624031 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.15671022059750, 0.00000000000000 ] - [ -0.51731279310568, -0.00578989035758 ] - [ -0.45490357505431, 0.02929545774589 ] - # atom 2 - [ -0.11081094201538, -0.11081094201538 ] - [ -0.36170158206557, -0.36988972961897 ] - [ -0.34238067397873, -0.30095060952963 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.01879488488013, 0.00000000000000 ] - [ -0.06782309015895, -0.49957864789050 ] - [ -0.47935298722484, -0.12525590018659 ] - # atom 2 - [ -0.01328998067384, -0.01328998067384 ] - [ -0.30529705580390, 0.40121331846809 ] - [ 0.25038426536881, 0.42752272653860 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.45772755680253, 0.00000000000000 ] - [ -0.21079974915299, -0.30398081919803 ] - [ 0.38449480495833, -0.07621500900586 ] - # atom 2 - [ -0.32366201881995, -0.32366201881995 ] - [ -0.06588891754138, 0.36400456019224 ] - [ -0.32577079151506, -0.21798657222298 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.53863958972891, 0.00000000000000 ] - [ 0.18150092044913, 0.27575010024193 ] - [ -0.31001153024984, 0.06913691603552 ] - # atom 2 - [ -0.38087542346335, -0.38087542346335 ] - [ 0.06664418462580, -0.32332505715447 ] - [ 0.26809823820616, 0.17032394654953 ] - q-position: [ 0.5000000, 0.6666667, 0.5000000 ] dynamical_matrix: - [ -0.0500618577, 0.0000000000, -0.0822047985, 0.0000000000, -0.7005254935, 0.0000000000, 0.1739577475, 0.0000000000, 0.2222738612, 0.0000000000, -0.6483311247, 0.0000000000 ] - [ -0.4919190052, 0.0415004797, -0.4395285386, 0.2337974234, 0.0867316532, -0.0304012650, -0.5672671883, -0.1168718220, -0.3081372821, 0.0543369888, -0.2578487741, -0.0127297091 ] - [ 0.4163897286, -0.2835605620, -0.2692908806, 0.4157860108, 0.0018439861, -0.0285272084, -0.0897893001, 0.3552825811, -0.0383451246, -0.5926407880, -0.0372381679, -0.1078529104 ] - [ -0.0250309396, -0.0433548591, -0.0411024169, -0.0711914744, -0.3502628970, -0.6066731336, -0.0869788364, -0.1506517638, -0.1111368829, -0.1924947278, 0.3241654233, 0.5614709832 ] - [ -0.2819000933, -0.4052642891, -0.4222389585, -0.2637442816, 0.0696941243, 0.0599112082, 0.1824195490, 0.5497034710, 0.2011257674, 0.2396861169, 0.1179000850, 0.2296683447 ] - [ 0.4537657092, 0.2188238957, -0.4947269005, -0.0253197491, 0.0256272912, -0.0126666709, 0.3525782396, -0.0998814328, -0.4940692035, 0.3295281047, -0.0747842442, 0.0861756177 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.05006185766762, 0.00000000000000 ] - [ -0.49191900518162, 0.04150047972774 ] - [ 0.41638972856084, -0.28356056204819 ] - # atom 2 - [ -0.02503093957358, -0.04335485910267 ] - [ -0.28190009325626, -0.40526428911083 ] - [ 0.45376570921839, 0.21882389567343 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.08220479849482, 0.00000000000000 ] - [ -0.43952853857355, 0.23379742339769 ] - [ -0.26929088059901, 0.41578601081845 ] - # atom 2 - [ -0.04110241688280, -0.07119147435496 ] - [ -0.42223895845445, -0.26374428155658 ] - [ -0.49472690047425, -0.02531974906096 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70052549345544, 0.00000000000000 ] - [ 0.08673165321631, -0.03040126503210 ] - [ 0.00184398606864, -0.02852720839653 ] - # atom 2 - [ -0.35026289701138, -0.60667313363072 ] - [ 0.06969412433610, 0.05991120818707 ] - [ 0.02562729120044, -0.01266667085335 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.17395774745750, 0.00000000000000 ] - [ -0.56726718834963, -0.11687182202342 ] - [ -0.08978930013439, 0.35528258112386 ] - # atom 2 - [ -0.08697883640947, -0.15065176384460 ] - [ 0.18241954904661, 0.54970347099980 ] - [ 0.35257823956514, -0.09988143280214 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.22227386116722, 0.00000000000000 ] - [ -0.30813728206718, 0.05433698877208 ] - [ -0.03834512460710, -0.59264078803473 ] - # atom 2 - [ -0.11113688289904, -0.19249472777620 ] - [ 0.20112576738007, 0.23968611689744 ] - [ -0.49406920346784, 0.32952810465058 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.64833112471301, 0.00000000000000 ] - [ -0.25784877414376, -0.01272970907502 ] - [ -0.03723816793650, -0.10785291042355 ] - # atom 2 - [ 0.32416542326956, 0.56147098316064 ] - [ 0.11790008504371, 0.22966834473908 ] - [ -0.07478424424370, 0.08617561766056 ] - q-position: [ 0.5000000, 0.6666667, 0.6666667 ] dynamical_matrix: - [ -0.1049191863, 0.0000000000, 0.6991448725, -0.0000000000, 0.0137195391, 0.0000000000, -0.2531934455, 0.0000000000, 0.6461841977, 0.0000000000, -0.1354224783, 0.0000000000 ] - [ 0.6980652561, 0.0299656924, 0.1048933064, 0.0050273570, -0.0069374503, -0.0270325995, -0.6283001253, -0.1726279359, -0.2463238659, -0.0856925782, -0.0006580600, -0.0861373102 ] - [ 0.0206643580, -0.0192799983, -0.0093395277, -0.0090085848, 0.6339695849, 0.3116332208, 0.0999169795, -0.0367207089, -0.0891283505, -0.0805210578, -0.6120967289, -0.3155605543 ] - [ -0.0271550937, -0.1013441894, 0.1809520755, 0.6753223396, 0.0035508793, 0.0132520621, 0.0655312614, 0.2445659972, -0.1672447149, -0.6241657731, 0.0350499035, 0.1308080206 ] - [ 0.1517280032, 0.6820352046, 0.0222923397, 0.1026203675, 0.0243159507, -0.0136976191, -0.0041297417, 0.6515704731, -0.0190193596, 0.2601093583, -0.0830319032, 0.0229296050 ] - [ 0.0239713866, 0.0149702119, 0.0062843795, -0.0113528886, -0.1369312246, 0.6930244652, -0.0613298755, -0.0870083399, -0.0547092344, 0.1069317191, -0.1463857438, 0.6729128699 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.10491918633867, 0.00000000000000 ] - [ 0.69806525611974, 0.02996569240786 ] - [ 0.02066435797900, -0.01927999833109 ] - # atom 2 - [ -0.02715509371122, -0.10134418941498 ] - [ 0.15172800318674, 0.68203520464497 ] - [ 0.02397138662580, 0.01497021186058 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.69914487253751, -0.00000000000000 ] - [ 0.10489330635899, 0.00502735700380 ] - [ -0.00933952769380, -0.00900858484473 ] - # atom 2 - [ 0.18095207553546, 0.67532233963622 ] - [ 0.02229233970476, 0.10262036748753 ] - [ 0.00628437945556, -0.01135288855049 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.01371953912653, 0.00000000000000 ] - [ -0.00693745031365, -0.02703259946954 ] - [ 0.63396958485252, 0.31163322077155 ] - # atom 2 - [ 0.00355087933539, 0.01325206209127 ] - [ 0.02431595074900, -0.01369761909760 ] - [ -0.13693122457858, 0.69302446522516 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.25319344551441, 0.00000000000000 ] - [ -0.62830012526481, -0.17262793594197 ] - [ 0.09991697954090, -0.03672070888896 ] - # atom 2 - [ 0.06553126144406, 0.24456599719434 ] - [ -0.00412974167265, 0.65157047308354 ] - [ -0.06132987552090, -0.08700833988295 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.64618419767015, 0.00000000000000 ] - [ -0.24632386588425, -0.08569257822590 ] - [ -0.08912835048429, -0.08052105776047 ] - # atom 2 - [ -0.16724471485631, -0.62416577314372 ] - [ -0.01901935960867, 0.26010935830697 ] - [ -0.05470923435844, 0.10693171913406 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.13542247826200, 0.00000000000000 ] - [ -0.00065805995901, -0.08613731016968 ] - [ -0.61209672889266, -0.31556055425671 ] - # atom 2 - [ 0.03504990348530, 0.13080802060806 ] - [ -0.08303190319700, 0.02292960495526 ] - [ -0.14638574383933, 0.67291286990981 ] - q-position: [ 0.5000000, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.2403692185, 0.0000000000, 0.6175875669, 0.0000000000, 0.2465928253, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.5387635703, -0.0197958073, 0.0278427240, 0.0189147862, 0.4554344110, -0.0280755697, 0.6309428583, 0.1675776859, -0.0000000000, 0.0000000000, -0.1216275382, 0.2429728076 ] - [ -0.3009354238, 0.2469863079, 0.2485139704, -0.2359940736, -0.3290587453, 0.3502904020, -0.1028427839, 0.2515003083, 0.0000000000, 0.0000000000, 0.5414787436, 0.3646531798 ] - [ -0.0000000000, 0.2403693216, 0.0000000000, 0.6175878319, -0.0000000000, 0.2465929311, -0.0000000000, 0.0000000000, 0.0000000000, -0.7071066295, -0.0000000000, 0.0000000000 ] - [ 0.0197958158, -0.5387638015, -0.0189147943, 0.0278427360, 0.0280755817, 0.4554346064, 0.1675776140, -0.6309425876, 0.0000000000, -0.0000000000, 0.2429727033, 0.1216274860 ] - [ -0.2469864139, -0.3009355529, 0.2359941748, 0.2485140770, -0.3502905523, -0.3290588865, 0.2515002004, 0.1028427397, 0.0000000000, -0.0000000000, 0.3646530233, -0.5414785112 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.24036921846404, 0.00000000000000 ] - [ -0.53876357032521, -0.01979580730465 ] - [ -0.30093542380909, 0.24698630788996 ] - # atom 2 - [ -0.00000000000000, 0.24036932159703 ] - [ 0.01979581579826, -0.53876380148749 ] - [ -0.24698641386208, -0.30093555292865 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.61758756691925, 0.00000000000000 ] - [ 0.02784272404664, 0.01891478618899 ] - [ 0.24851397039075, -0.23599407356575 ] - # atom 2 - [ 0.00000000000000, 0.61758783190181 ] - [ -0.01891479430459, 0.02784273599285 ] - [ 0.23599417482154, 0.24851407701833 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.24659282526350, 0.00000000000000 ] - [ 0.45543441101984, -0.02807556968933 ] - [ -0.32905874533546, 0.35029040204113 ] - # atom 2 - [ -0.00000000000000, 0.24659293106679 ] - [ 0.02807558173546, 0.45543460642885 ] - [ -0.35029055233698, -0.32905888652164 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63094285832508, 0.16757768585755 ] - [ -0.10284278385026, 0.25150030829295 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.16757761395658, -0.63094258761240 ] - [ 0.25150020038409, 0.10284273972448 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.70710662949069 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12162753816123, 0.24297280757805 ] - [ 0.54147874355815, 0.36465317980718 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24297270332801, 0.12162748597565 ] - [ 0.36465302334889, -0.54147851123099 ] - q-position: [ 0.5000000, 0.8333333, 0.0000000 ] dynamical_matrix: - [ -0.6980386142, 0.0000000000, 0.0771078494, 0.0000000000, 0.0824394208, 0.0000000000, -0.2993961033, 0.0000000000, -0.2424763444, 0.0000000000, 0.5929312020, 0.0000000000 ] - [ -0.1028767704, 0.0059411818, -0.6416757521, 0.0643628592, -0.2709106970, -0.0098946275, 0.6221661556, -0.1107539667, -0.2160863620, 0.0353256936, 0.2257905993, -0.0414781022 ] - [ 0.0460002026, -0.0026329423, -0.2689194476, 0.0764601021, 0.6410248569, -0.0938091188, -0.1047183008, 0.0062529191, -0.6268268631, 0.0187696602, -0.3092145209, 0.0108331256 ] - [ 0.6045194321, 0.3490194569, -0.0667773851, -0.0385539413, -0.0713946633, -0.0412197281, -0.2592845200, -0.1496979874, -0.2099905840, -0.1212381202, 0.5134932633, 0.2964654738 ] - [ 0.0920645270, 0.0462931907, 0.5878891842, 0.2650981187, 0.2296683306, 0.1440244091, 0.5941884245, 0.2151672368, -0.2047990379, -0.0774501997, 0.2162793532, 0.0769741764 ] - [ -0.0411538328, -0.0207199153, 0.2711212406, 0.0682433623, -0.6020486282, -0.2392714512, -0.0938151280, -0.0469439435, -0.5522325804, -0.2971583015, -0.2732040760, -0.1452254362 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69803861420559, 0.00000000000000 ] - [ -0.10287677038320, 0.00594118176787 ] - [ 0.04600020257895, -0.00263294227840 ] - # atom 2 - [ 0.60451943210014, 0.34901945685295 ] - [ 0.09206452699637, 0.04629319071465 ] - [ -0.04115383280930, -0.02071991527976 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.07710784942264, 0.00000000000000 ] - [ -0.64167575213337, 0.06436285915166 ] - [ -0.26891944760464, 0.07646010209921 ] - # atom 2 - [ -0.06677738508275, -0.03855394125326 ] - [ 0.58788918415600, 0.26509811872397 ] - [ 0.27112124057436, 0.06824336228884 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.08243942081940, 0.00000000000000 ] - [ -0.27091069704996, -0.00989462754321 ] - [ 0.64102485690520, -0.09380911876785 ] - # atom 2 - [ -0.07139466333553, -0.04121972809542 ] - [ 0.22966833057230, 0.14402440913346 ] - [ -0.60204862823655, -0.23927145115463 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.29939610328972, 0.00000000000000 ] - [ 0.62216615563184, -0.11075396665510 ] - [ -0.10471830081025, 0.00625291908760 ] - # atom 2 - [ -0.25928451999425, -0.14969798741520 ] - [ 0.59418842453683, 0.21516723680259 ] - [ -0.09381512803425, -0.04694394348560 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.24247634444549, 0.00000000000000 ] - [ -0.21608636202157, 0.03532569363454 ] - [ -0.62682686308652, 0.01876966023395 ] - # atom 2 - [ -0.20999058400794, -0.12123812020412 ] - [ -0.20479903786813, -0.07745019968602 ] - [ -0.55223258038326, -0.29715830146101 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.59293120195314, 0.00000000000000 ] - [ 0.22579059932485, -0.04147810218437 ] - [ -0.30921452094817, 0.01083312564403 ] - # atom 2 - [ 0.51349326326823, 0.29646547377461 ] - [ 0.21627935324628, 0.07697417644329 ] - [ -0.27320407596111, -0.14522543615329 ] - q-position: [ 0.5000000, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.0614392691, 0.0000000000, 0.4724955207, 0.0000000000, -0.5224680158, 0.0000000000, -0.0117916520, 0.0000000000, 0.1527402451, 0.0000000000, 0.6903127886, 0.0000000000 ] - [ 0.2150615255, -0.1062041544, 0.4800099279, 0.0289016566, 0.4593884344, 0.0136482951, -0.6961685784, 0.0174057336, 0.1001112741, 0.0607674657, -0.0340425363, -0.0131482357 ] - [ 0.1119517200, -0.6528099837, -0.1180789251, 0.1776517439, -0.0936201449, 0.0838931450, 0.0470440741, -0.1126700249, 0.5551797658, -0.3933589514, -0.1220368035, 0.0851109495 ] - [ -0.0434441561, -0.0434441561, -0.3341050351, -0.3341050351, 0.3694409515, 0.3694409515, -0.0083379509, -0.0083379509, 0.1080035828, 0.1080035828, 0.4881244912, 0.4881244912 ] - [ -0.2271693097, -0.0769738425, -0.3189819548, -0.3598550999, -0.3151861094, -0.3344877277, -0.5045728599, -0.4799574537, 0.0278202530, 0.1137583633, -0.0147744907, -0.0333688901 ] - [ -0.5407685886, 0.3824448302, 0.2091133168, -0.0421243755, 0.1255209443, 0.0068780327, 0.1129348385, -0.0464045204, 0.6707176607, 0.1144245102, -0.1464754720, -0.0261105023 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.06143926906416, 0.00000000000000 ] - [ 0.21506152550116, -0.10620415444700 ] - [ 0.11195171996780, -0.65280998373418 ] - # atom 2 - [ -0.04344415607213, -0.04344415607213 ] - [ -0.22716930967575, -0.07697384245799 ] - [ -0.54076858855407, 0.38244483018560 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.47249552071773, 0.00000000000000 ] - [ 0.48000992793961, 0.02890165655786 ] - [ -0.11807892507139, 0.17765174388643 ] - # atom 2 - [ -0.33410503507144, -0.33410503507144 ] - [ -0.31898195479626, -0.35985509985050 ] - [ 0.20911331682841, -0.04212437546343 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.52246801580685, 0.00000000000000 ] - [ 0.45938843435510, 0.01364829506951 ] - [ -0.09362014489358, 0.08389314497640 ] - # atom 2 - [ 0.36944095148181, 0.36944095148181 ] - [ -0.31518610936786, -0.33448772770251 ] - [ 0.12552094429925, 0.00687803271348 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ -0.01179165204855, 0.00000000000000 ] - [ -0.69616857839967, 0.01740573360742 ] - [ 0.04704407405092, -0.11267002486300 ] - # atom 2 - [ -0.00833795092853, -0.00833795092853 ] - [ -0.50457285992486, -0.47995745368726 ] - [ 0.11293483846503, -0.04640452035528 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.15274024509024, 0.00000000000000 ] - [ 0.10011127406195, 0.06076746570489 ] - [ 0.55517976582089, -0.39335895140155 ] - # atom 2 - [ 0.10800358279999, 0.10800358279999 ] - [ 0.02782025301222, 0.11375836329778 ] - [ 0.67071766071875, 0.11442451017789 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.69031278855975, 0.00000000000000 ] - [ -0.03404253632498, -0.01314823570032 ] - [ -0.12203680352530, 0.08511094954304 ] - # atom 2 - [ 0.48812449117820, 0.48812449117820 ] - [ -0.01477449068011, -0.03336889011026 ] - [ -0.14647547204820, -0.02611050234781 ] - q-position: [ 0.5000000, 0.8333333, 0.3333333 ] dynamical_matrix: - [ -0.0000000004, 0.0000000000, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000001, 0.0000000000, 1.0000000000, 0.0000000000, -0.0000000001, 0.0000000000 ] - [ -0.0000000007, 0.0000000002, -0.0000000004, 0.0000000000, -0.0000000002, 0.0000000001, -0.9969784271, -0.0269151784, 0.0000000001, 0.0000000000, -0.0599356445, -0.0414404102 ] - [ 0.0000000003, 0.0000000000, 0.0000000001, -0.0000000001, 0.0000000003, -0.0000000002, -0.0631683288, 0.0363228760, 0.0000000001, 0.0000000000, 0.9957724594, 0.0559251288 ] - [ -0.7339684432, -0.6422223707, 0.1663190275, 0.1455291451, 0.0000000000, -0.0000000000, 0.0000000003, 0.0000000005, -0.0000000003, -0.0000000003, 0.0000000002, 0.0000000002 ] - [ -0.1382050391, -0.1209294060, -0.6099009772, -0.5336633411, -0.5548586732, 0.0403922656, 0.0000000004, 0.0000000004, -0.0000000000, -0.0000000000, 0.0000000002, 0.0000000003 ] - [ -0.0925277584, -0.0809617863, -0.4083264303, -0.3572856165, 0.8287703713, -0.0603323242, 0.0000000001, 0.0000000001, -0.0000000000, -0.0000000000, -0.0000000002, -0.0000000001 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000038720, 0.00000000000000 ] - [ -0.00000000067038, 0.00000000018584 ] - [ 0.00000000025422, 0.00000000004248 ] - # atom 2 - [ -0.73396844319458, -0.64222237069134 ] - [ -0.13820503906893, -0.12092940602866 ] - [ -0.09252775837124, -0.08096178630946 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000008774, 0.00000000000000 ] - [ -0.00000000043411, 0.00000000000933 ] - [ 0.00000000006547, -0.00000000007904 ] - # atom 2 - [ 0.16631902745027, 0.14552914514320 ] - [ -0.60990097718009, -0.53366334110220 ] - [ -0.40832643027918, -0.35728561649716 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000018023, 0.00000000014492 ] - [ 0.00000000026560, -0.00000000021822 ] - # atom 2 - [ 0.00000000000477, -0.00000000000035 ] - [ -0.55485867319061, 0.04039226556011 ] - [ 0.82877037128799, -0.06033232419896 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000008401, 0.00000000000000 ] - [ -0.99697842709360, -0.02691517843703 ] - [ -0.06316832879047, 0.03632287595300 ] - # atom 2 - [ 0.00000000026989, 0.00000000050970 ] - [ 0.00000000040307, 0.00000000042097 ] - [ 0.00000000007583, 0.00000000012077 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000008049, 0.00000000000000 ] - [ 0.00000000005964, 0.00000000000000 ] - # atom 2 - [ -0.00000000029879, -0.00000000026144 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000005457, 0.00000000000000 ] - [ -0.05993564448213, -0.04144041023191 ] - [ 0.99577245939339, 0.05592512882376 ] - # atom 2 - [ 0.00000000020474, 0.00000000016356 ] - [ 0.00000000019000, 0.00000000027138 ] - [ -0.00000000020304, -0.00000000009388 ] - q-position: [ 0.5000000, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.4821288656, 0.0000000000, -0.4914849368, 0.0000000000, -0.1612263699, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3604173123, -0.0433817725, -0.1622034013, -0.0376452333, -0.5833230725, -0.0149698815, 0.6348571521, 0.1847024262, -0.0000000000, -0.0000000000, 0.2029921427, -0.1470917121 ] - [ -0.3441558753, 0.1316263718, -0.4419974529, 0.1880248122, 0.3182333541, -0.1795642340, 0.0905252393, 0.2337668985, 0.0000000000, -0.0000000000, -0.6333525137, -0.1897977428 ] - [ 0.1247842253, 0.4657010689, -0.1272057566, -0.4747383465, -0.0417284861, -0.1557328303, -0.0000000000, 0.0000000000, -0.1830126339, -0.6830124481, 0.0000000000, -0.0000000000 ] - [ -0.0513793284, -0.3593646862, -0.0056188306, -0.1664198815, -0.1365154269, -0.5673217328, 0.0140957112, -0.6610289335, -0.0000000000, -0.0000000000, -0.1946177714, -0.1580050993 ] - [ -0.2162155676, -0.2983618581, -0.2960156008, -0.3782726337, 0.2558107741, 0.2609153659, 0.2023716782, -0.1479438821, -0.0000000000, -0.0000000000, -0.0194068343, 0.6608943296 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.48212886555218, 0.00000000000000 ] - [ -0.36041731229470, -0.04338177245680 ] - [ -0.34415587527539, 0.13162637180357 ] - # atom 2 - [ 0.12478422533278, 0.46570106892409 ] - [ -0.05137932838328, -0.35936468617273 ] - [ -0.21621556763272, -0.29836185806596 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.49148493676991, 0.00000000000000 ] - [ -0.16220340132389, -0.03764523325514 ] - [ -0.44199745289243, 0.18802481219139 ] - # atom 2 - [ -0.12720575655084, -0.47473834646199 ] - [ -0.00561883058096, -0.16641988145011 ] - [ -0.29601560075971, -0.37827263367069 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.16122636990346, 0.00000000000000 ] - [ -0.58332307248985, -0.01496988151254 ] - [ 0.31823335412425, -0.17956423402693 ] - # atom 2 - [ -0.04172848611455, -0.15573283030212 ] - [ -0.13651542689100, -0.56732173283425 ] - [ 0.25581077406571, 0.26091536585010 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63485715210827, 0.18470242615793 ] - [ 0.09052523932085, 0.23376689845153 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01409571124338, -0.66102893354503 ] - [ 0.20237167815351, -0.14794388207967 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301263388918, -0.68301244809999 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20299214272037, -0.14709171206950 ] - [ -0.63335251373186, -0.18979774277157 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.19461777143211, -0.15800509930465 ] - [ -0.01940683427444, 0.66089432955850 ] - q-position: [ 0.5000000, 0.8333333, 0.6666667 ] dynamical_matrix: - [ 0.2403692185, 0.0000000000, 0.6175875669, 0.0000000000, 0.2465928253, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.5387635703, -0.0197958073, 0.0278427240, 0.0189147862, 0.4554344110, -0.0280755697, 0.6309428583, 0.1675776859, -0.0000000000, 0.0000000000, -0.1216275382, 0.2429728076 ] - [ -0.3009354238, 0.2469863079, 0.2485139704, -0.2359940736, -0.3290587453, 0.3502904020, -0.1028427839, 0.2515003083, 0.0000000000, 0.0000000000, 0.5414787436, 0.3646531798 ] - [ -0.0000000000, 0.2403693216, 0.0000000000, 0.6175878319, -0.0000000000, 0.2465929311, -0.0000000000, 0.0000000000, 0.0000000000, -0.7071066295, -0.0000000000, 0.0000000000 ] - [ 0.0197958158, -0.5387638015, -0.0189147943, 0.0278427360, 0.0280755817, 0.4554346064, 0.1675776140, -0.6309425876, 0.0000000000, -0.0000000000, 0.2429727033, 0.1216274860 ] - [ -0.2469864139, -0.3009355529, 0.2359941748, 0.2485140770, -0.3502905523, -0.3290588865, 0.2515002004, 0.1028427397, 0.0000000000, -0.0000000000, 0.3646530233, -0.5414785112 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.24036921846404, 0.00000000000000 ] - [ -0.53876357032521, -0.01979580730465 ] - [ -0.30093542380909, 0.24698630788996 ] - # atom 2 - [ -0.00000000000000, 0.24036932159703 ] - [ 0.01979581579826, -0.53876380148749 ] - [ -0.24698641386208, -0.30093555292865 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.61758756691925, 0.00000000000000 ] - [ 0.02784272404664, 0.01891478618899 ] - [ 0.24851397039075, -0.23599407356575 ] - # atom 2 - [ 0.00000000000000, 0.61758783190181 ] - [ -0.01891479430459, 0.02784273599285 ] - [ 0.23599417482154, 0.24851407701833 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.24659282526350, 0.00000000000000 ] - [ 0.45543441101984, -0.02807556968933 ] - [ -0.32905874533546, 0.35029040204113 ] - # atom 2 - [ -0.00000000000000, 0.24659293106679 ] - [ 0.02807558173546, 0.45543460642885 ] - [ -0.35029055233698, -0.32905888652164 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63094285832508, 0.16757768585755 ] - [ -0.10284278385026, 0.25150030829295 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.16757761395658, -0.63094258761240 ] - [ 0.25150020038409, 0.10284273972448 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.70710662949069 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12162753816123, 0.24297280757805 ] - [ 0.54147874355815, 0.36465317980718 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24297270332801, 0.12162748597565 ] - [ 0.36465302334889, -0.54147851123099 ] - q-position: [ 0.5000000, 0.8333333, 0.8333333 ] dynamical_matrix: - [ -0.1358944722, 0.0000000000, 0.2948877967, 0.0000000000, 0.6281510121, 0.0000000000, 0.0581244022, 0.0000000000, -0.1255326352, 0.0000000000, 0.6934430742, 0.0000000000 ] - [ 0.6102756146, -0.0524840019, -0.2478154973, -0.0406383589, 0.2483651948, 0.0077234141, 0.3724856809, -0.2411269971, -0.5344936312, 0.0216312901, -0.1279800821, 0.0241271361 ] - [ 0.0442945481, 0.3230783240, -0.0360641277, 0.5904882585, 0.0265131394, -0.2073119691, -0.1324733535, -0.5312106353, 0.1206099229, -0.4284199287, 0.0329376942, -0.0330299383 ] - [ 0.0351720906, -0.1312640291, -0.0763226063, 0.2848398445, -0.1625775055, 0.6067475109, 0.0150436967, -0.0561438404, -0.0324902247, 0.1212551693, 0.1794762076, -0.6698143255 ] - [ -0.1072553388, 0.6030650606, 0.1033930491, -0.2288534928, -0.0717419143, 0.2379034777, -0.1365043550, -0.4222016413, -0.1174428659, 0.5218795983, -0.0098186551, 0.1298637806 ] - [ -0.3235340899, -0.0408335906, -0.5610339844, -0.1876649492, 0.1933859514, 0.0792660414, -0.5473964953, -0.0095279924, -0.3826055864, -0.2273833918, -0.0233795592, -0.0403641316 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.13589447216546, 0.00000000000000 ] - [ 0.61027561458646, -0.05248400190854 ] - [ 0.04429454805726, 0.32307832400729 ] - # atom 2 - [ 0.03517209058959, -0.13126402908932 ] - [ -0.10725533875918, 0.60306506062604 ] - [ -0.32353408992223, -0.04083359055308 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.29488779665477, 0.00000000000000 ] - [ -0.24781549725260, -0.04063835886181 ] - [ -0.03606412765160, 0.59048825847987 ] - # atom 2 - [ -0.07632260630203, 0.28483984448643 ] - [ 0.10339304914143, -0.22885349275268 ] - [ -0.56103398437262, -0.18766494923673 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.62815101212230, 0.00000000000000 ] - [ 0.24836519478700, 0.00772341407449 ] - [ 0.02651313943320, -0.20731196905118 ] - # atom 2 - [ -0.16257750554715, 0.60674751087233 ] - [ -0.07174191433057, 0.23790347774000 ] - [ 0.19338595143252, 0.07926604143595 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.05812440224269, 0.00000000000000 ] - [ 0.37248568087024, -0.24112699710542 ] - [ -0.13247335353343, -0.53121063531314 ] - # atom 2 - [ 0.01504369669565, -0.05614384040206 ] - [ -0.13650435496096, -0.42220164133394 ] - [ -0.54739649531125, -0.00952799236602 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.12553263516346, 0.00000000000000 ] - [ -0.53449363119721, 0.02163129006841 ] - [ 0.12060992292220, -0.42841992867969 ] - # atom 2 - [ -0.03249022468945, 0.12125516929085 ] - [ -0.11744286586714, 0.52187959828168 ] - [ -0.38260558636065, -0.22738339181011 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.69344307420404, 0.00000000000000 ] - [ -0.12798008206900, 0.02412713608079 ] - [ 0.03293769422201, -0.03302993830814 ] - # atom 2 - [ 0.17947620760843, -0.66981432554724 ] - [ -0.00981865512989, 0.12986378058809 ] - [ -0.02337955919888, -0.04036413160173 ] - q-position: [ 0.6666667, 0.0000000, 0.0000000 ] dynamical_matrix: - [ -0.0323412507, 0.0000000000, -0.2592334077, 0.0000000000, -0.6570783388, 0.0000000000, -0.0214486329, 0.0000000000, 0.4275252842, 0.0000000000, 0.5628163359, 0.0000000000 ] - [ 0.2327122524, -0.0244621840, 0.6163005900, -0.0223332619, -0.2545996384, 0.0100150390, -0.3527483768, 0.2224931624, 0.4216190037, 0.1570364906, -0.3337123371, -0.1108086104 ] - [ -0.5710076990, 0.3437305920, 0.2034874374, -0.1051930170, -0.0521758772, 0.0245828634, -0.1089981167, 0.5601114911, -0.2978191172, 0.1615642336, 0.2220748300, -0.1013815084 ] - [ -0.0061119236, 0.0317584867, -0.0489905229, 0.2545622244, -0.1241761689, 0.6452383009, 0.0040534095, -0.0210621335, -0.0807946617, 0.4198213770, -0.1063622600, 0.5526745151 ] - [ 0.0199570997, -0.2331418791, 0.0945390626, -0.6094159262, -0.0382802467, 0.2519046170, -0.1518207284, -0.3884391759, -0.2338852091, 0.3843444275, 0.1718775509, -0.3067580645 ] - [ 0.2296264932, 0.6256775810, -0.0648419993, -0.2197003701, 0.0142795827, 0.0558814344, -0.5294197089, -0.2128850883, -0.1023703762, -0.3229852469, 0.0575864507, 0.2372323915 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.03234125071413, 0.00000000000000 ] - [ 0.23271225237782, -0.02446218395665 ] - [ -0.57100769900399, 0.34373059201455 ] - # atom 2 - [ -0.00611192360805, 0.03175848666346 ] - [ 0.01995709974076, -0.23314187907703 ] - [ 0.22962649317560, 0.62567758101114 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.25923340774618, 0.00000000000000 ] - [ 0.61630059002002, -0.02233326185343 ] - [ 0.20348743743020, -0.10519301701776 ] - # atom 2 - [ -0.04899052293317, 0.25456222442978 ] - [ 0.09453906263855, -0.60941592622416 ] - [ -0.06484199927249, -0.21970037011637 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.65707833883601, 0.00000000000000 ] - [ -0.25459963836523, 0.01001503901706 ] - [ -0.05217587715053, 0.02458286335655 ] - # atom 2 - [ -0.12417616891089, 0.64523830093108 ] - [ -0.03828024674154, 0.25190461695373 ] - [ 0.01427958265480, 0.05588143444162 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ -0.02144863291038, 0.00000000000000 ] - [ -0.35274837681887, 0.22249316242600 ] - [ -0.10899811673527, 0.56011149110050 ] - # atom 2 - [ 0.00405340947881, -0.02106213348362 ] - [ -0.15182072841573, -0.38843917591610 ] - [ -0.52941970890005, -0.21288508831478 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.42752528415083, 0.00000000000000 ] - [ 0.42161900374515, 0.15703649059474 ] - [ -0.29781911723264, 0.16156423356737 ] - # atom 2 - [ -0.08079466166671, 0.41982137696276 ] - [ -0.23388520908965, 0.38434442750071 ] - [ -0.10237037623735, -0.32298524693160 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.56281633594014, 0.00000000000000 ] - [ -0.33371233709825, -0.11080861040298 ] - [ 0.22207483000271, -0.10138150842350 ] - # atom 2 - [ -0.10636226003124, 0.55267451514789 ] - [ 0.17187755085532, -0.30675806448096 ] - [ 0.05758645072667, 0.23723239151644 ] - q-position: [ 0.6666667, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.1657061453, 0.0000000000, -0.6006226465, 0.0000000000, 0.3343556850, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000 ] - [ -0.6411822967, 0.0968293159, 0.0222781039, -0.0380876571, -0.2777494664, -0.0204306284, 0.4364674729, -0.0469395745, -0.5377150232, -0.1347425732, 0.0000000000, 0.0000000000 ] - [ -0.0832711749, 0.2124065560, 0.2213258870, -0.2971870100, 0.3563115566, -0.4285860335, -0.4287896353, 0.3513295546, -0.4147585286, 0.1438142605, 0.0000000000, -0.0000000000 ] - [ -0.0428879222, 0.1600599048, -0.1554526376, 0.5801571417, 0.0865376513, -0.3229629113, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.1830126679, 0.6830125750 ] - [ -0.0724202797, 0.6443960503, -0.0310238657, -0.0313768186, -0.0916213573, 0.2629976448, -0.0676259222, 0.4337438991, 0.2693221201, -0.4845187040, -0.0000000000, 0.0000000000 ] - [ 0.1836168804, 0.1354086907, -0.2297773388, -0.2907021564, -0.3217622212, -0.4550969318, -0.2283792815, -0.5051095749, -0.0315664904, -0.4378476813, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.16570614529614, 0.00000000000000 ] - [ -0.64118229670247, 0.09682931588531 ] - [ -0.08327117490882, 0.21240655600106 ] - # atom 2 - [ -0.04288792222918, 0.16005990479103 ] - [ -0.07242027972272, 0.64439605026266 ] - [ 0.18361688036809, 0.13540869074218 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.60062264652672, 0.00000000000000 ] - [ 0.02227810390024, -0.03808765714691 ] - [ 0.22132588700631, -0.29718700996356 ] - # atom 2 - [ -0.15545263760306, 0.58015714170765 ] - [ -0.03102386565068, -0.03137681862983 ] - [ -0.22977733881034, -0.29070215643947 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.33435568501468, 0.00000000000000 ] - [ -0.27774946638174, -0.02043062838385 ] - [ 0.35631155661359, -0.42858603346558 ] - # atom 2 - [ 0.08653765127519, -0.32296291132804 ] - [ -0.09162135731407, 0.26299764481104 ] - [ -0.32176222122950, -0.45509693176753 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.43646747291936, -0.04693957448754 ] - [ -0.42878963526190, 0.35132955456519 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.06762592215804, 0.43374389910493 ] - [ -0.22837928148474, -0.50510957488582 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.53771502321759, -0.13474257317241 ] - [ -0.41475852859549, 0.14381426051331 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.26932212009979, -0.48451870395040 ] - [ -0.03156649037032, -0.43784768132785 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301266788981, 0.68301257499636 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.0000000, 0.3333333 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, -0.4617183405, 0.0000000000, 0.5355518672, 0.0000000000, -0.0744409452, 0.0000000000, 0.1652156016, 0.0000000000, 0.6834930301, 0.0000000000 ] - [ 0.2662538316, 0.0171086385, 0.4959538660, -0.0035003865, 0.4275794932, -0.0030178079, -0.4633268870, -0.1771327520, 0.4571332593, -0.1374021337, -0.1609614627, 0.0139212052 ] - [ -0.6404998793, -0.1362927905, 0.2001392750, 0.0278851786, 0.1725471977, 0.0240408057, -0.0243327721, -0.4978142398, -0.3094158222, -0.3861552310, 0.0721426035, 0.0391241828 ] - [ -0.0000000000, 0.0000000000, -0.0000000000, 0.4617186836, 0.0000000000, -0.5355522652, -0.0000000000, -0.0744408899, -0.0000000000, 0.1652154788, -0.0000000000, 0.6834925222 ] - [ 0.0171086512, -0.2662540295, -0.0035003891, -0.4959542346, -0.0030178101, -0.4275798109, 0.1771326203, -0.4633265427, 0.1374020316, 0.4571329196, -0.0139211948, -0.1609613431 ] - [ -0.1362928918, 0.6405003552, 0.0278851994, -0.2001394237, 0.0240408236, -0.1725473259, 0.4978138699, -0.0243327540, 0.3861549440, -0.3094155923, -0.0391241537, 0.0721425499 ] band: - # 1 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.26625383158295, 0.01710863853367 ] - [ -0.64049987925521, -0.13629279053418 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01710865124804, -0.26625402945083 ] - [ -0.13629289182085, 0.64050035524594 ] - # 2 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.46171834046964, 0.00000000000000 ] - [ 0.49595386601483, -0.00350038648249 ] - [ 0.20013927497794, 0.02788517863109 ] - # atom 2 - [ -0.00000000000000, 0.46171868359797 ] - [ -0.00350038908382, -0.49595423458546 ] - [ 0.02788519935410, -0.20013942371245 ] - # 3 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.53555186723282, 0.00000000000000 ] - [ 0.42757949318534, -0.00301780786620 ] - [ 0.17254719768429, 0.02404080573516 ] - # atom 2 - [ 0.00000000000000, -0.53555226523091 ] - [ -0.00301781010890, -0.42757981094320 ] - [ 0.02404082360121, -0.17254732591361 ] - # 4 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ -0.07444094522796, 0.00000000000000 ] - [ -0.46332688704337, -0.17713275195327 ] - [ -0.02433277205437, -0.49781423983578 ] - # atom 2 - [ -0.00000000000000, -0.07444088990684 ] - [ 0.17713262031626, -0.46332654271991 ] - [ 0.49781386988288, -0.02433275397136 ] - # 5 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.16521560158794, 0.00000000000000 ] - [ 0.45713325927393, -0.13740213372440 ] - [ -0.30941582221722, -0.38615523102057 ] - # atom 2 - [ -0.00000000000000, 0.16521547880722 ] - [ 0.13740203161338, 0.45713291955329 ] - [ 0.38615494404757, -0.30941559227345 ] - # 6 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.68349303013484, 0.00000000000000 ] - [ -0.16096146267378, 0.01392120515791 ] - [ 0.07214260348342, 0.03912418277741 ] - # atom 2 - [ -0.00000000000000, 0.68349252219390 ] - [ -0.01392119481231, -0.16096134305454 ] - [ -0.03912415370209, 0.07214254987032 ] - q-position: [ 0.6666667, 0.0000000, 0.5000000 ] dynamical_matrix: - [ -0.5737832601, 0.0000000000, 0.4132377038, 0.0000000000, 0.0026455538, 0.0000000000, -0.0240837856, 0.0000000000, 0.7062405794, 0.0000000000, -0.0253887139, 0.0000000000 ] - [ 0.4091338671, -0.0278565664, 0.5685844186, -0.0384785959, -0.0780008660, -0.0313071937, -0.6987668335, 0.0026704470, -0.0200044910, 0.0000716541, 0.1063845677, -0.0005399812 ] - [ 0.0509821196, -0.0025909072, 0.0666156656, -0.0052667069, 0.6518794096, 0.2607327929, -0.1055371955, -0.0001557309, -0.0287128998, -0.0000106131, -0.6985970192, -0.0001474980 ] - [ 0.5542324815, 0.1485061458, -0.3991572672, -0.1069538674, -0.0025554107, -0.0006847202, -0.0232631333, -0.0062333378, 0.6821755083, 0.1827883765, -0.0245235962, -0.0065710778 ] - [ -0.4024030776, -0.0789843186, -0.5591697834, -0.1099930885, 0.0672402029, 0.0504285740, -0.6756475915, -0.1782745784, -0.0193413855, -0.0051083269, 0.1028992825, 0.0270127503 ] - [ -0.0499155592, -0.0106925272, -0.0657089647, -0.0121541638, -0.5621849627, -0.4205676573, -0.1019007210, -0.0274654403, -0.0277317640, -0.0074416912, -0.6747542262, -0.1809525511 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.57378326013162, 0.00000000000000 ] - [ 0.40913386709712, -0.02785656642821 ] - [ 0.05098211957088, -0.00259090724903 ] - # atom 2 - [ 0.55423248153377, 0.14850614584638 ] - [ -0.40240307760904, -0.07898431855419 ] - [ -0.04991555920759, -0.01069252722550 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.41323770382209, 0.00000000000000 ] - [ 0.56858441863202, -0.03847859594485 ] - [ 0.06661566560682, -0.00526670686640 ] - # atom 2 - [ -0.39915726715362, -0.10695386738705 ] - [ -0.55916978339104, -0.10999308845020 ] - [ -0.06570896471896, -0.01215416381193 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00264555384998, 0.00000000000000 ] - [ -0.07800086596961, -0.03130719365554 ] - [ 0.65187940962808, 0.26073279291984 ] - # atom 2 - [ -0.00255541068759, -0.00068472023007 ] - [ 0.06724020291603, 0.05042857402421 ] - [ -0.56218496268548, -0.42056765731074 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02408378564152, 0.00000000000000 ] - [ -0.69876683354521, 0.00267044703868 ] - [ -0.10553719554861, -0.00015573091930 ] - # atom 2 - [ -0.02326313325783, -0.00623333776987 ] - [ -0.67564759151708, -0.17827457835978 ] - [ -0.10190072095865, -0.02746544028056 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70624057944528, 0.00000000000000 ] - [ -0.02000449095426, 0.00007165411672 ] - [ -0.02871289983454, -0.00001061306306 ] - # atom 2 - [ 0.68217550829727, 0.18278837654493 ] - [ -0.01934138553090, -0.00510832688837 ] - [ -0.02773176402598, -0.00744169121869 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02538871385813, 0.00000000000000 ] - [ 0.10638456774751, -0.00053998123767 ] - [ -0.69859701917185, -0.00014749804764 ] - # atom 2 - [ -0.02452359618699, -0.00657107779383 ] - [ 0.10289928246409, 0.02701275034027 ] - [ -0.67475422623569, -0.18095255111161 ] - q-position: [ 0.6666667, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.3186032262, 0.0000000000, 0.2524135861, 0.0000000000, -0.5786010543, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6175921842, 0.0000000000, -0.0095111266, 0.0000000000, -0.3442226703, 0.0000000000, 0.7064606086, 0.0000000000, -0.0000000000, 0.0000000000, 0.0302257230, 0.0000000000 ] - [ 0.1306586871, 0.0000000000, -0.6604519167, 0.0000000000, -0.2161744376, 0.0000000000, -0.0302257230, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064606086, 0.0000000000 ] - [ -0.3186033446, 0.0000000000, -0.2524136799, 0.0000000000, 0.5786012693, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071066498, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6175924137, 0.0000000000, 0.0095111301, 0.0000000000, 0.3442227982, 0.0000000000, 0.7064603461, 0.0000000000, 0.0000000000, 0.0000000000, 0.0302257118, 0.0000000000 ] - [ -0.1306587356, 0.0000000000, 0.6604521621, 0.0000000000, 0.2161745179, 0.0000000000, -0.0302257118, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064603461, 0.0000000000 ] band: - # 1 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.31860322620826, 0.00000000000000 ] - [ -0.61759218417590, 0.00000000000000 ] - [ 0.13065868706606, 0.00000000000000 ] - # atom 2 - [ -0.31860334459404, 0.00000000000000 ] - [ 0.61759241365924, 0.00000000000000 ] - [ -0.13065873561589, 0.00000000000000 ] - # 2 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.25241358609809, 0.00000000000000 ] - [ -0.00951112657104, 0.00000000000000 ] - [ -0.66045191667202, 0.00000000000000 ] - # atom 2 - [ -0.25241367988929, 0.00000000000000 ] - [ 0.00951113010516, 0.00000000000000 ] - [ 0.66045216208107, 0.00000000000000 ] - # 3 frequency: 644.4479832027 eigenvector: - # atom 1 - [ -0.57860105428014, 0.00000000000000 ] - [ -0.34422267026953, 0.00000000000000 ] - [ -0.21617443759548, 0.00000000000000 ] - # atom 2 - [ 0.57860126927525, 0.00000000000000 ] - [ 0.34422279817492, 0.00000000000000 ] - [ 0.21617451792103, 0.00000000000000 ] - # 4 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70646060856596, 0.00000000000000 ] - [ -0.03022572304037, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70646034606121, 0.00000000000000 ] - [ -0.03022571180917, 0.00000000000000 ] - # 5 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710664981409, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03022572304037, 0.00000000000000 ] - [ 0.70646060856596, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03022571180917, 0.00000000000000 ] - [ 0.70646034606121, 0.00000000000000 ] - q-position: [ 0.6666667, 0.0000000, 0.8333333 ] dynamical_matrix: - [ -0.1011523482, 0.0000000000, 0.6809763914, 0.0000000000, -0.1613667138, 0.0000000000, 0.0141592104, -0.0000000000, 0.1226279285, 0.0000000000, -0.6962485536, 0.0000000000 ] - [ 0.6994258071, 0.0198619479, 0.0954118026, 0.0018625959, -0.0357903906, -0.0045901588, -0.3634263441, -0.0734207004, -0.5916567426, 0.0043167439, -0.1115973174, -0.0007328213 ] - [ 0.0130992883, -0.0023482041, 0.1640555466, 0.0158085463, 0.6841121553, 0.0681848997, 0.6016939707, -0.0171672943, -0.3572976562, 0.0849975360, -0.0506933332, 0.0146212102 ] - [ 0.1008926713, 0.0072437679, -0.6792281983, -0.0487663905, 0.1609524554, 0.0115558664, 0.0141228532, 0.0010139752, 0.1223130511, 0.0087816820, -0.6944607638, -0.0498600395 ] - [ -0.6962078880, -0.0698985570, -0.0950334777, -0.0086904876, 0.0353697974, 0.0071414127, -0.3572353238, -0.0992580125, -0.5904466505, -0.0380643079, -0.1112582847, -0.0087226929 ] - [ -0.0132338207, 0.0014041037, -0.1625022967, -0.0275163831, -0.6774730241, -0.1170008066, 0.6013783645, 0.0259655446, -0.3624670852, 0.0591923363, -0.0516102257, 0.0109533947 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.10115234818846, 0.00000000000000 ] - [ 0.69942580708953, 0.01986194787142 ] - [ 0.01309928830627, -0.00234820413998 ] - # atom 2 - [ 0.10089267128380, 0.00724376788699 ] - [ -0.69620788803357, -0.06989855702807 ] - [ -0.01323382065618, 0.00140410368093 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.68097639144408, 0.00000000000000 ] - [ 0.09541180263497, 0.00186259588565 ] - [ 0.16405554660093, 0.01580854631902 ] - # atom 2 - [ -0.67922819830130, -0.04876639054341 ] - [ -0.09503347771691, -0.00869048758764 ] - [ -0.16250229668124, -0.02751638313136 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.16136671375689, 0.00000000000000 ] - [ -0.03579039057509, -0.00459015880423 ] - [ 0.68411215534341, 0.06818489967928 ] - # atom 2 - [ 0.16095245536849, 0.01155586637459 ] - [ 0.03536979744458, 0.00714141271284 ] - [ -0.67747302411567, -0.11700080664254 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.01415921042003, -0.00000000000000 ] - [ -0.36342634413749, -0.07342070044419 ] - [ 0.60169397067151, -0.01716729431318 ] - # atom 2 - [ 0.01412285315769, 0.00101397523601 ] - [ -0.35723532384775, -0.09925801245156 ] - [ 0.60137836449666, 0.02596554456847 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.12262792851015, 0.00000000000000 ] - [ -0.59165674256653, 0.00431674392954 ] - [ -0.35729765624653, 0.08499753602611 ] - # atom 2 - [ 0.12231305108159, 0.00878168196273 ] - [ -0.59044665051663, -0.03806430786424 ] - [ -0.36246708518061, 0.05919233628728 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.69624855357311, 0.00000000000000 ] - [ -0.11159731738052, -0.00073282131527 ] - [ -0.05069333318785, 0.01462121017930 ] - # atom 2 - [ -0.69446076381875, -0.04986003954217 ] - [ -0.11125828466128, -0.00872269288974 ] - [ -0.05161022571528, 0.01095339466440 ] - q-position: [ 0.6666667, 0.1666667, 0.0000000 ] dynamical_matrix: - [ 0.1243145348, 0.0000000000, 0.3053424651, 0.0000000000, 0.6255491105, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6527909859, -0.0448209533, -0.2472488564, 0.0959332220, -0.0090413883, -0.0379196295, -0.6293528609, -0.1556496879, 0.0000000000, 0.0000000000, 0.2816509232, -0.0190024823 ] - [ -0.0486563725, 0.2324505946, 0.1022247016, 0.5709472161, -0.0402284132, -0.3248848324, 0.2310631272, 0.1621670994, 0.0000000000, -0.0000000000, 0.6189481133, 0.1929121095 ] - [ 0.0321749811, -0.1200786644, 0.0790284746, -0.2949382825, 0.1619040836, -0.6042342660, 0.0000000000, -0.0000000000, -0.1830126679, 0.6830125750, 0.0000000000, 0.0000000000 ] - [ 0.1256610700, -0.6421484274, 0.0286716744, 0.2636534988, -0.0389676475, -0.0010810122, 0.3132344435, -0.5676228677, -0.0000000000, 0.0000000000, -0.0545416143, 0.2769720021 ] - [ 0.2119369156, 0.1071611276, 0.5779505759, 0.0490305521, -0.3242266501, -0.0452287357, -0.2164448470, 0.1812178409, -0.0000000000, 0.0000000000, -0.3465342196, 0.5479284362 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.12431453481413, 0.00000000000000 ] - [ 0.65279098589579, -0.04482095330148 ] - [ -0.04865637248792, 0.23245059462155 ] - # atom 2 - [ 0.03217498114832, -0.12007866437862 ] - [ 0.12566106996042, -0.64214842738745 ] - [ 0.21193691556680, 0.10716112755151 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.30534246506771, 0.00000000000000 ] - [ -0.24724885643409, 0.09593322196108 ] - [ 0.10222470163640, 0.57094721606224 ] - # atom 2 - [ 0.07902847460296, -0.29493828246413 ] - [ 0.02867167442039, 0.26365349881933 ] - [ 0.57795057585917, 0.04903055208791 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.62554911051941, 0.00000000000000 ] - [ -0.00904138833966, -0.03791962951748 ] - [ -0.04022841317126, -0.32488483237534 ] - # atom 2 - [ 0.16190408360862, -0.60423426598277 ] - [ -0.03896764745021, -0.00108101220121 ] - [ -0.32422665011923, -0.04522873565656 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.62935286094594, -0.15564968791843 ] - [ 0.23106312717406, 0.16216709937378 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.31323444352536, -0.56762286772350 ] - [ -0.21644484696689, 0.18121784089733 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301266788981, 0.68301257499636 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.28165092317344, -0.01900248231969 ] - [ 0.61894811328816, 0.19291210948763 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05454161428507, 0.27697200210344 ] - [ -0.34653421964237, 0.54792843619413 ] - q-position: [ 0.6666667, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.2021772423, 0.0000000000, -0.6062103234, 0.0000000000, 0.3027097487, 0.0000000000, -0.1212140143, 0.0000000000, 0.2405997115, 0.0000000000, -0.6537730157, 0.0000000000 ] - [ -0.6487009256, -0.1465421968, -0.1208959895, -0.0086722562, 0.1911539606, 0.0805071066, 0.5662361695, -0.0563668964, -0.3446952726, 0.0524476157, -0.2318378682, 0.0297524348 ] - [ -0.1141906328, 0.0616209478, -0.3349779684, 0.0748835209, -0.5945641198, 0.1088065721, 0.3990749166, -0.0473915762, 0.5586318536, -0.0920698766, 0.1315948932, -0.0250965735 ] - [ 0.1010886645, -0.1750907031, -0.3031052917, 0.5249937653, 0.1513549393, -0.2621544449, 0.0606069811, -0.1049743706, -0.1202998041, 0.2083653729, 0.3268863676, -0.5661837970 ] - [ -0.4512599215, 0.4885205923, -0.0679584180, 0.1003629131, 0.1652982507, -0.1252906863, -0.2343028200, 0.5185581331, 0.1269266142, -0.3247385311, 0.0901525311, -0.2156536083 ] - [ -0.0037300118, 0.1297025184, -0.1026379968, 0.3275413313, -0.2030528915, 0.5693111622, -0.1584950814, 0.3693046455, -0.1995809891, 0.5298240876, -0.0440631575, 0.1265127530 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.20217724234404, 0.00000000000000 ] - [ -0.64870092561213, -0.14654219675366 ] - [ -0.11419063278933, 0.06162094783108 ] - # atom 2 - [ 0.10108866454508, -0.17509070306158 ] - [ -0.45125992153867, 0.48852059226690 ] - [ -0.00373001176800, 0.12970251843555 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.60621032336987, 0.00000000000000 ] - [ -0.12089598947698, -0.00867225615555 ] - [ -0.33497796839918, 0.07488352087210 ] - # atom 2 - [ -0.30310529173517, 0.52499376532894 ] - [ -0.06795841803554, 0.10036291308674 ] - [ -0.10263799683727, 0.32754133131296 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.30270974874895, 0.00000000000000 ] - [ 0.19115396055288, 0.08050710662278 ] - [ -0.59456411975502, 0.10880657209079 ] - # atom 2 - [ 0.15135493931477, -0.26215444487000 ] - [ 0.16529825071984, -0.12529068631878 ] - [ -0.20305289146987, 0.56931116220103 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.12121401425271, 0.00000000000000 ] - [ 0.56623616953007, -0.05636689644775 ] - [ 0.39907491663280, -0.04739157619604 ] - # atom 2 - [ 0.06060698112223, -0.10497437059719 ] - [ -0.23430281997839, 0.51855813308571 ] - [ -0.15849508140104, 0.36930464546115 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.24059971148655, 0.00000000000000 ] - [ -0.34469527256949, 0.05244761571846 ] - [ 0.55863185359551, -0.09206987664289 ] - # atom 2 - [ -0.12029980412724, 0.20836537288922 ] - [ 0.12692661424524, -0.32473853113633 ] - [ -0.19958098906907, 0.52982408757175 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65377301574143, 0.00000000000000 ] - [ -0.23183786819792, 0.02975243476110 ] - [ 0.13159489317876, -0.02509657353445 ] - # atom 2 - [ 0.32688636761632, -0.56618379701379 ] - [ 0.09015253109038, -0.21565360827073 ] - [ -0.04406315745476, 0.12651275298670 ] - q-position: [ 0.6666667, 0.1666667, 0.3333333 ] dynamical_matrix: - [ 0.6122946573, 0.0000000000, 0.3536875473, 0.0000000000, 0.0000000000, 0.0000000000, 0.5986719075, 0.0000000000, 0.3762875480, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.3469754054, 0.0005950416, 0.6006747724, -0.0010301205, 0.0630761112, -0.1217271671, 0.0915102283, -0.0019002279, -0.1455923887, 0.0030232545, -0.6830040031, 0.0626249704 ] - [ -0.0685754697, 0.0000000000, 0.1187160646, -0.0000000000, -0.3202062208, 0.6153629056, -0.3649857340, 0.0000000000, 0.5806907689, -0.0000000000, -0.1715706893, 0.0121455764 ] - [ 0.4329580260, -0.4329580260, 0.2500950490, -0.2500950490, 0.0000000000, 0.0000000000, -0.4233246509, 0.4233246509, -0.2660752791, 0.2660752791, -0.0000000000, 0.0000000000 ] - [ -0.2449280862, 0.2457696027, 0.4240131148, -0.4254699262, -0.0414725902, -0.1306757484, -0.0633637919, 0.0660511179, 0.1008115266, -0.1050870510, 0.4386738949, -0.5272389116 ] - [ -0.0484902157, 0.0484902157, 0.0839449967, -0.0839449967, 0.2087074484, 0.6615477652, 0.2580836957, -0.2580836957, -0.4106100753, 0.4106100753, 0.1127304947, -0.1299069207 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.61229465727328, 0.00000000000000 ] - [ -0.34697540544370, 0.00059504159124 ] - [ -0.06857546966581, 0.00000000000000 ] - # atom 2 - [ 0.43295802599626, -0.43295802599762 ] - [ -0.24492808616896, 0.24576960268362 ] - [ -0.04849021565939, 0.04849021565954 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.35368754727471, 0.00000000000000 ] - [ 0.60067477239563, -0.00103012048341 ] - [ 0.11871606456013, -0.00000000000000 ] - # atom 2 - [ 0.25009504895806, -0.25009504895884 ] - [ 0.42401311477597, -0.42546992621846 ] - [ 0.08394499667022, -0.08394499667048 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.06307611119546, -0.12172716714435 ] - [ -0.32020622082651, 0.61536290556230 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.04147259020596, -0.13067574841179 ] - [ 0.20870744839214, 0.66154776517018 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.59867190749275, 0.00000000000000 ] - [ 0.09151022830603, -0.00190022785496 ] - [ -0.36498573397581, 0.00000000000000 ] - # atom 2 - [ -0.42332465089749, 0.42332465089881 ] - [ -0.06336379189186, 0.06605111789905 ] - [ 0.25808369573403, -0.25808369573485 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.37628754796882, 0.00000000000000 ] - [ -0.14559238866871, 0.00302325453165 ] - [ 0.58069076892507, -0.00000000000000 ] - # atom 2 - [ -0.26607527910920, 0.26607527911004 ] - [ 0.10081152661744, -0.10508705100156 ] - [ -0.41061007533174, 0.41061007533303 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.68300400306324, 0.06262497042107 ] - [ -0.17157068931251, 0.01214557637892 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.43867389488367, -0.52723891158034 ] - [ 0.11273049467033, -0.12990692074387 ] - q-position: [ 0.6666667, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000001, 0.0000000000, 0.0000000004, 0.0000000000, -0.0000000002, 0.0000000000, 0.9935015003, 0.0034830484, 0.0000000000, 0.0000000000, 0.1136058140, 0.0060296270 ] - [ -0.0000000003, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.1136685657, -0.0047004825, 0.0000000000, 0.0000000000, -0.9934742821, -0.0081371701 ] - [ -0.1206585873, -0.0402195291, -0.9120590290, -0.3040196763, -0.2314947796, -0.0771649265, 0.0000000003, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000001, 0.0000000000 ] - [ -0.1249082425, -0.0157565605, -0.2169249684, -0.0723083227, 0.9197599550, 0.2930978532, 0.0000000003, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000001, 0.0000000000 ] - [ 0.9443161775, 0.2761168474, -0.1452304575, -0.0484101525, 0.0799970268, 0.0468133579, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000003, -0.0000000001 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000013689, 0.00000000000575 ] - [ -0.00000000032831, 0.00000000000219 ] - # atom 2 - [ -0.12065858730103, -0.04021952910299 ] - [ -0.12490824245405, -0.01575656045065 ] - [ 0.94431617753365, 0.27611684738041 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000038567, 0.00000000004957 ] - [ -0.00000000003872, 0.00000000000202 ] - # atom 2 - [ -0.91205902896181, -0.30401967633895 ] - [ -0.21692496835754, -0.07230832272954 ] - [ -0.14523045750240, -0.04841015253825 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000018197, 0.00000000000868 ] - [ 0.00000000001104, 0.00000000000535 ] - # atom 2 - [ -0.23149477961480, -0.07716492654281 ] - [ 0.91975995497121, 0.29309785323042 ] - [ 0.07999702684138, 0.04681335794781 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.99350150025405, 0.00348304839209 ] - [ 0.11366856571324, -0.00470048247984 ] - # atom 2 - [ 0.00000000033145, 0.00000000005881 ] - [ 0.00000000026027, 0.00000000007979 ] - [ -0.00000000002304, -0.00000000000295 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.11360581395883, 0.00602962698682 ] - [ -0.99347428205068, -0.00813717008729 ] - # atom 2 - [ 0.00000000010907, 0.00000000003684 ] - [ 0.00000000009061, 0.00000000001815 ] - [ -0.00000000030661, -0.00000000009401 ] - q-position: [ 0.6666667, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.1286228745, -0.0000000000, -0.5800522412, 0.0000000000, 0.3833995072, 0.0000000000, -0.0119509504, 0.0000000000, 0.0578858464, 0.0000000000, 0.7046323688, 0.0000000000 ] - [ -0.5842059576, -0.0326822492, 0.1191444795, 0.0186245686, 0.3762453243, 0.0391416976, -0.0853541632, 0.0798340349, 0.6903131627, 0.0799988722, -0.0581571709, -0.0052179122 ] - [ -0.3717018201, -0.0541184922, -0.3788499712, -0.0739556873, -0.4484706295, -0.0937332611, 0.6896472268, 0.1028855799, 0.0623916500, 0.0991201304, 0.0065712938, -0.0063977648 ] - [ -0.1242402487, 0.0332900743, 0.5602878567, -0.1501286787, -0.3703357610, 0.0992311681, -0.0115437230, 0.0030931313, 0.0559133925, -0.0149819484, 0.6806220972, -0.1823721413 ] - [ 0.5727588365, -0.1196350884, -0.1199052120, 0.0128469182, -0.3735559702, 0.0595715232, -0.0617831760, 0.0992049655, 0.6874960329, -0.1013931415, -0.0575259656, 0.0100120598 ] - [ 0.3730435614, -0.0439290935, 0.3850823980, -0.0266178992, 0.4574496565, -0.0255333814, 0.6927763001, -0.0791139391, 0.0859198197, 0.0795944874, 0.0046915155, -0.0078805364 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.12862287449002, -0.00000000000000 ] - [ -0.58420595760870, -0.03268224923925 ] - [ -0.37170182008904, -0.05411849223868 ] - # atom 2 - [ -0.12424024865113, 0.03329007429358 ] - [ 0.57275883651434, -0.11963508839774 ] - [ 0.37304356141524, -0.04392909345145 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.58005224117248, 0.00000000000000 ] - [ 0.11914447948693, 0.01862456855389 ] - [ -0.37884997124055, -0.07395568726196 ] - # atom 2 - [ 0.56028785672573, -0.15012867873894 ] - [ -0.11990521195285, 0.01284691818766 ] - [ 0.38508239804287, -0.02661789924772 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.38339950716102, 0.00000000000000 ] - [ 0.37624532430858, 0.03914169760840 ] - [ -0.44847062951747, -0.09373326109638 ] - # atom 2 - [ -0.37033576096997, 0.09923116808048 ] - [ -0.37355597017864, 0.05957152322813 ] - [ 0.45744965647011, -0.02553338138843 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.01195095035399, 0.00000000000000 ] - [ -0.08535416323233, 0.07983403494148 ] - [ 0.68964722684607, 0.10288557989544 ] - # atom 2 - [ -0.01154372301684, 0.00309313126002 ] - [ -0.06178317604264, 0.09920496546552 ] - [ 0.69277630014236, -0.07911393914261 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.05788584641923, 0.00000000000000 ] - [ 0.69031316268663, 0.07999887217657 ] - [ 0.06239164999440, 0.09912013037097 ] - # atom 2 - [ 0.05591339248061, -0.01498194836129 ] - [ 0.68749603285611, -0.10139314152844 ] - [ 0.08591981971572, 0.07959448740544 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70463236879054, 0.00000000000000 ] - [ -0.05815717088627, -0.00521791220958 ] - [ 0.00657129377740, -0.00639776482873 ] - # atom 2 - [ 0.68062209724616, -0.18237214130827 ] - [ -0.05752596564775, 0.01001205983162 ] - [ 0.00469151550143, -0.00788053640269 ] - q-position: [ 0.6666667, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.2067061999, 0.0000000000, 0.6762191452, 0.0000000000, -0.0000000000, 0.0000000000, -0.2157025883, 0.0000000000, 0.6734037481, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6740575625, 0.0000000000, 0.2060454488, -0.0000000000, 0.0564930174, 0.0000000000, -0.5603974899, 0.0000000000, -0.1795047761, 0.0000000000, -0.3920878769, 0.0000000000 ] - [ -0.0540253172, 0.0000000000, 0.0165144215, -0.0000000000, -0.7048463127, -0.0000000000, 0.3733996000, 0.0000000000, 0.1196061952, 0.0000000000, -0.5884448244, 0.0000000000 ] - [ -0.2067062886, 0.0000000000, -0.6762194354, 0.0000000000, 0.0000000000, 0.0000000000, -0.2157024957, 0.0000000000, 0.6734034592, -0.0000000000, 0.0000000000, -0.0000000000 ] - [ 0.6740578517, -0.0000000000, -0.2060455372, 0.0000000000, -0.0564930416, -0.0000000000, -0.5603972494, 0.0000000000, -0.1795046991, 0.0000000000, -0.3920877087, 0.0000000000 ] - [ 0.0540253403, -0.0000000000, -0.0165144286, 0.0000000000, 0.7048466151, 0.0000000000, 0.3733994398, -0.0000000000, 0.1196061439, -0.0000000000, -0.5884445719, 0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.20670619990080, 0.00000000000000 ] - [ -0.67405756245128, 0.00000000000085 ] - [ -0.05402531716249, 0.00000000000000 ] - # atom 2 - [ -0.20670628859031, 0.00000000000032 ] - [ 0.67405785166289, -0.00000000000191 ] - [ 0.05402534034263, -0.00000000000008 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.67621914524233, 0.00000000000000 ] - [ 0.20604544877056, -0.00000000000026 ] - [ 0.01651442152690, -0.00000000000000 ] - # atom 2 - [ -0.67621943538139, 0.00000000000106 ] - [ -0.20604553717656, 0.00000000000058 ] - [ -0.01651442861259, 0.00000000000003 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.05649301738158, 0.00000000000167 ] - [ -0.70484631265036, -0.00000000002168 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05649304162052, -0.00000000000158 ] - [ 0.70484661507222, 0.00000000002057 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.21570258825350, 0.00000000000000 ] - [ -0.56039748988813, 0.00000000000085 ] - [ 0.37339959999728, 0.00000000000000 ] - # atom 2 - [ -0.21570249570403, 0.00000000000034 ] - [ -0.56039724944369, 0.00000000000173 ] - [ 0.37339943978625, -0.00000000000059 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.67340374809697, 0.00000000000000 ] - [ -0.17950477608899, 0.00000000000027 ] - [ 0.11960619524297, 0.00000000000000 ] - # atom 2 - [ 0.67340345916601, -0.00000000000106 ] - [ -0.17950469907058, 0.00000000000055 ] - [ 0.11960614392467, -0.00000000000019 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.39208787690852, 0.00000000000251 ] - [ -0.58844482435627, 0.00000000000289 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.39208770867909, 0.00000000000313 ] - [ -0.58844457187782, 0.00000000000381 ] - q-position: [ 0.6666667, 0.3333333, 0.0000000 ] dynamical_matrix: - [ -0.1980738499, 0.0000000000, 0.4764937619, 0.0000000000, 0.4834460397, 0.0000000000, 0.1069572714, 0.0000000000, 0.6989710392, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5501090582, 0.0110173581, -0.1821143468, 0.0110638671, 0.4048819376, -0.0063908127, 0.6603876148, 0.0158520548, -0.1010531959, -0.0024256978, 0.0040572193, 0.2310912994 ] - [ -0.3877136116, -0.0877677370, -0.4815567767, -0.0881382417, 0.3157805832, 0.0509112223, -0.2240818245, 0.0445506466, 0.0342892326, -0.0068171860, 0.1574266356, 0.6494594493 ] - [ -0.0000000000, 0.1980739971, -0.0000000000, -0.4764941160, 0.0000000000, -0.4834463989, 0.0000000000, 0.1069571919, -0.0000000000, 0.6989705198, 0.0000000000, -0.0000000000 ] - [ 0.0110173663, -0.5501094670, 0.0110638753, 0.1821144821, -0.0063908175, -0.4048822385, -0.0158520431, 0.6603871241, 0.0024256960, -0.1010531208, -0.2310911277, 0.0040572163 ] - [ -0.0877678022, 0.3877138998, -0.0881383072, 0.4815571346, 0.0509112602, -0.3157808179, -0.0445506135, -0.2240816580, 0.0068171810, 0.0342892071, -0.6494589667, 0.1574265186 ] band: - # 1 frequency: 789.2843623064 eigenvector: - # atom 1 - [ -0.19807384993201, 0.00000000000000 ] - [ 0.55010905820833, 0.01101735814954 ] - [ -0.38771361162812, -0.08776773695696 ] - # atom 2 - [ -0.00000000000000, 0.19807399713159 ] - [ 0.01101736633714, -0.55010946702466 ] - [ -0.08776780218200, 0.38771389975946 ] - # 2 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.47649376190802, 0.00000000000000 ] - [ -0.18211434679713, 0.01106386708184 ] - [ -0.48155677668022, -0.08813824172601 ] - # atom 2 - [ -0.00000000000000, -0.47649411601678 ] - [ 0.01106387530401, 0.18211448213633 ] - [ -0.08813830722639, 0.48155713455158 ] - # 3 frequency: 789.2843623064 eigenvector: - # atom 1 - [ 0.48344603965537, 0.00000000000000 ] - [ 0.40488193756664, -0.00639081272549 ] - [ 0.31578058323792, 0.05091122232927 ] - # atom 2 - [ 0.00000000000000, -0.48344639893074 ] - [ -0.00639081747486, -0.40488223845670 ] - [ 0.05091126016421, -0.31578081791186 ] - # 4 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.10695727138774, 0.00000000000000 ] - [ 0.66038761484731, 0.01585205483532 ] - [ -0.22408182451716, 0.04455064656683 ] - # atom 2 - [ 0.00000000000000, 0.10695719190196 ] - [ -0.01585204305479, 0.66038712407727 ] - [ -0.04455061345881, -0.22408165798974 ] - # 5 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.69897103922458, 0.00000000000000 ] - [ -0.10105319588160, -0.00242569782713 ] - [ 0.03428923256181, -0.00681718601766 ] - # atom 2 - [ -0.00000000000000, 0.69897051978109 ] - [ 0.00242569602446, -0.10105312078346 ] - [ 0.00681718095143, 0.03428920707961 ] - # 6 frequency: 1018.9617302127 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00405721932121, 0.23109129939208 ] - [ 0.15742663557111, 0.64945944931675 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.23109112765554, 0.00405721630607 ] - [ -0.64945896666803, 0.15742651857880 ] - q-position: [ 0.6666667, 0.3333333, 0.1666667 ] dynamical_matrix: - [ 0.6122946573, 0.0000000000, 0.3536875473, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.5986719075, 0.0000000000, 0.3762875480, 0.0000000000 ] - [ -0.3469754054, 0.0005950416, 0.6006747724, -0.0010301205, -0.0357543931, 0.1323545330, 0.6756964962, 0.1176885727, 0.0915102283, -0.0019002279, -0.1455923887, 0.0030232545 ] - [ -0.0685754697, 0.0000000000, 0.1187160646, -0.0000000000, 0.1820571052, -0.6693718995, 0.1687997634, 0.0330250866, -0.3649857340, 0.0000000000, 0.5806907689, -0.0000000000 ] - [ 0.4329580260, -0.4329580260, 0.2500950490, -0.2500950490, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.4233246509, 0.4233246509, -0.2660752791, 0.2660752791 ] - [ -0.2449280862, 0.2457696027, 0.4240131148, -0.4254699262, 0.0683066647, 0.1188710499, -0.5610075454, 0.3945708934, -0.0633637919, 0.0660511179, 0.1008115266, -0.1050870510 ] - [ -0.0484902157, 0.0484902157, 0.0839449967, -0.0839449967, -0.3445838517, -0.6020516703, -0.1427116140, 0.0960071233, 0.2580836957, -0.2580836957, -0.4106100753, 0.4106100753 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.61229465727328, 0.00000000000000 ] - [ -0.34697540544370, 0.00059504159124 ] - [ -0.06857546966581, 0.00000000000000 ] - # atom 2 - [ 0.43295802599626, -0.43295802599762 ] - [ -0.24492808616896, 0.24576960268362 ] - [ -0.04849021565939, 0.04849021565954 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.35368754727471, 0.00000000000000 ] - [ 0.60067477239563, -0.00103012048341 ] - [ 0.11871606456013, -0.00000000000000 ] - # atom 2 - [ 0.25009504895806, -0.25009504895884 ] - [ 0.42401311477597, -0.42546992621846 ] - [ 0.08394499667022, -0.08394499667048 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03575439309988, 0.13235453297334 ] - [ 0.18205710518607, -0.66937189950680 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.06830666473069, 0.11887104994381 ] - [ -0.34458385171670, -0.60205167033412 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67569649619399, 0.11768857273253 ] - [ 0.16879976336901, 0.03302508657539 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.56100754541387, 0.39457089340894 ] - [ -0.14271161395063, 0.09600712332622 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.59867190749275, 0.00000000000000 ] - [ 0.09151022830603, -0.00190022785496 ] - [ -0.36498573397581, 0.00000000000000 ] - # atom 2 - [ -0.42332465089749, 0.42332465089881 ] - [ -0.06336379189186, 0.06605111789905 ] - [ 0.25808369573403, -0.25808369573485 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.37628754796882, 0.00000000000000 ] - [ -0.14559238866871, 0.00302325453165 ] - [ 0.58069076892507, -0.00000000000000 ] - # atom 2 - [ -0.26607527910920, 0.26607527911004 ] - [ 0.10081152661744, -0.10508705100156 ] - [ -0.41061007533174, 0.41061007533303 ] - q-position: [ 0.6666667, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.2565963892, 0.0000000000, 0.0000000000, 0.0000000000, 0.6589066106, 0.0000000000, 0.0000000000, 0.0000000000, -0.0688570867, 0.0000000000, 0.7037464552, 0.0000000000 ] - [ 0.6537758331, -0.0000000000, 0.0880708942, 0.0000000000, 0.2545983230, -0.0000000000, 0.2370446689, 0.0000000000, -0.6630246802, 0.0000000000, -0.0648727216, 0.0000000000 ] - [ 0.0820675427, 0.0000000000, -0.7016004176, -0.0000000000, 0.0319593624, 0.0000000000, 0.6661908109, 0.0000000001, 0.2359180932, 0.0000000000, 0.0230830755, 0.0000000000 ] - [ -0.2565965799, 0.0000000000, -0.0000000000, 0.0000000000, 0.6589071003, -0.0000000000, 0.0000000000, 0.0000000000, 0.0688570355, -0.0000000000, -0.7037459322, 0.0000000000 ] - [ 0.6537763189, -0.0000000000, 0.0880709597, -0.0000000000, 0.2545985122, -0.0000000000, -0.2370444927, -0.0000000000, 0.6630241874, -0.0000000000, 0.0648726734, -0.0000000000 ] - [ 0.0820676037, -0.0000000000, -0.7016009390, 0.0000000000, 0.0319593861, -0.0000000000, -0.6661903158, -0.0000000001, -0.2359179178, 0.0000000000, -0.0230830584, 0.0000000000 ] band: - # 1 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.25659638917556, 0.00000000000000 ] - [ 0.65377583307725, -0.00000000000075 ] - [ 0.08206754272438, 0.00000000000000 ] - # atom 2 - [ -0.25659657986647, 0.00000000000121 ] - [ 0.65377631893407, -0.00000000000383 ] - [ 0.08206760371329, -0.00000000000039 ] - # 2 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08807089423578, 0.00000000000001 ] - [ -0.70160041762467, -0.00000000000087 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.08807095968611, -0.00000000000041 ] - [ -0.70160093902258, 0.00000000000243 ] - # 3 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.65890661059415, 0.00000000000000 ] - [ 0.25459832304095, -0.00000000000029 ] - [ 0.03195936236335, 0.00000000000000 ] - # atom 2 - [ 0.65890710026393, -0.00000000000310 ] - [ 0.25459851224699, -0.00000000000149 ] - [ 0.03195938611411, -0.00000000000015 ] - # 4 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.23704466890792, 0.00000000003306 ] - [ 0.66619081089409, 0.00000000009303 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23704449274711, -0.00000000003195 ] - [ -0.66619031581138, -0.00000000008989 ] - # 5 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.06885708668953, 0.00000000000000 ] - [ -0.66302468016595, 0.00000000000011 ] - [ 0.23591809316131, 0.00000000000000 ] - # atom 2 - [ 0.06885703551808, -0.00000000000032 ] - [ 0.66302418743616, -0.00000000000323 ] - [ -0.23591791783771, 0.00000000000111 ] - # 6 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.70374645518825, 0.00000000000000 ] - [ -0.06487272162142, 0.00000000000001 ] - [ 0.02308307554898, 0.00000000000000 ] - # atom 2 - [ -0.70374593219589, 0.00000000000332 ] - [ 0.06487267341096, -0.00000000000032 ] - [ -0.02308305839469, 0.00000000000011 ] - q-position: [ 0.6666667, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.1085288841, 0.0000000000, 0.6809280553, 0.0000000000, -0.1567102206, 0.0000000000, 0.0187948849, 0.0000000000, 0.4577275568, 0.0000000000, 0.5386395897, 0.0000000000 ] - [ 0.4800396165, -0.0098513761, -0.0425449323, -0.0029026471, -0.5173127931, -0.0057898904, -0.0678230902, -0.4995786479, -0.2107997492, -0.3039808192, 0.1815009204, 0.2757501002 ] - [ -0.5051746655, 0.0498456023, -0.1852091147, 0.0146866988, -0.4549035751, 0.0292954577, -0.4793529872, -0.1252559002, 0.3844948050, -0.0762150090, -0.3100115302, 0.0691369160 ] - [ -0.0767415669, -0.0767415669, 0.4814892032, 0.4814892032, -0.1108109420, -0.1108109420, -0.0132899807, -0.0132899807, -0.3236620188, -0.3236620188, -0.3808754235, -0.3808754235 ] - [ 0.3464055004, 0.3324735403, -0.0280313495, -0.0321363155, -0.3617015821, -0.3698897296, -0.3052970558, 0.4012133185, -0.0658889175, 0.3640045602, 0.0666441846, -0.3233250572 ] - [ -0.3924588867, -0.3219665075, -0.1413477903, -0.1205776462, -0.3423806740, -0.3009506095, 0.2503842654, 0.4275227265, -0.3257707915, -0.2179865722, 0.2680982382, 0.1703239465 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.10852888405410, 0.00000000000000 ] - [ 0.48003961653428, -0.00985137610035 ] - [ -0.50517466546105, 0.04984560232800 ] - # atom 2 - [ -0.07674156690010, -0.07674156690010 ] - [ 0.34640550036697, 0.33247354032422 ] - [ -0.39245888670720, -0.32196650748356 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.68092805531044, 0.00000000000000 ] - [ -0.04254493233954, -0.00290264710688 ] - [ -0.18520911469090, 0.01468669878342 ] - # atom 2 - [ 0.48148920323106, 0.48148920323106 ] - [ -0.02803134954137, -0.03213631549732 ] - [ -0.14134779028174, -0.12057764624031 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.15671022059750, 0.00000000000000 ] - [ -0.51731279310568, -0.00578989035758 ] - [ -0.45490357505431, 0.02929545774589 ] - # atom 2 - [ -0.11081094201538, -0.11081094201538 ] - [ -0.36170158206557, -0.36988972961897 ] - [ -0.34238067397873, -0.30095060952963 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.01879488488013, 0.00000000000000 ] - [ -0.06782309015895, -0.49957864789050 ] - [ -0.47935298722484, -0.12525590018659 ] - # atom 2 - [ -0.01328998067384, -0.01328998067384 ] - [ -0.30529705580390, 0.40121331846809 ] - [ 0.25038426536881, 0.42752272653860 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.45772755680253, 0.00000000000000 ] - [ -0.21079974915299, -0.30398081919803 ] - [ 0.38449480495833, -0.07621500900586 ] - # atom 2 - [ -0.32366201881995, -0.32366201881995 ] - [ -0.06588891754138, 0.36400456019224 ] - [ -0.32577079151506, -0.21798657222298 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.53863958972891, 0.00000000000000 ] - [ 0.18150092044913, 0.27575010024193 ] - [ -0.31001153024984, 0.06913691603552 ] - # atom 2 - [ -0.38087542346335, -0.38087542346335 ] - [ 0.06664418462580, -0.32332505715447 ] - [ 0.26809823820616, 0.17032394654953 ] - q-position: [ 0.6666667, 0.3333333, 0.6666667 ] dynamical_matrix: - [ -0.1348205363, 0.0000000000, 0.2147510412, 0.0000000000, -0.6600795722, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000 ] - [ 0.5646244533, -0.0392560331, -0.3527676255, -0.0470788195, -0.2300937537, -0.0072986747, -0.6400435385, 0.0994705411, 0.2190052504, 0.1802413720, -0.0000000000, -0.0000000000 ] - [ -0.2523564076, 0.3127258952, -0.4319278893, 0.3750446697, -0.0889803900, 0.0581435361, 0.0479668135, 0.2795522075, -0.4036787039, 0.5065507119, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.1348206365, -0.0000000000, 0.2147512008, 0.0000000000, -0.6600800628, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.7071065184 ] - [ 0.0392560623, 0.5646248729, 0.0470788545, -0.3527678877, 0.0072986801, -0.2300939247, 0.0994704672, 0.6400430628, 0.1802412381, -0.2190050877, 0.0000000000, -0.0000000000 ] - [ -0.3127261276, -0.2523565951, -0.3750449484, -0.4319282103, -0.0581435793, -0.0889804561, 0.2795519997, -0.0479667778, 0.5065503354, 0.4036784039, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.13482053630521, 0.00000000000000 ] - [ 0.56462445332139, -0.03925603313520 ] - [ -0.25235640758256, 0.31272589521659 ] - # atom 2 - [ 0.00000000000064, -0.13482063649778 ] - [ 0.03925606230586, 0.56462487292510 ] - [ -0.31272612761923, -0.25235659512398 ] - # 2 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.21475104124404, 0.00000000000000 ] - [ -0.35276762551914, -0.04707881952288 ] - [ -0.43192788932859, 0.37504466969320 ] - # atom 2 - [ -0.00000000000101, 0.21475120083736 ] - [ 0.04707885451141, -0.35276788767996 ] - [ -0.37504494840751, -0.43192821031975 ] - # 3 frequency: 789.2843623072 eigenvector: - # atom 1 - [ -0.66007957224685, 0.00000000000000 ] - [ -0.23009375367921, -0.00729867469793 ] - [ -0.08898038999357, 0.05814353607304 ] - # atom 2 - [ 0.00000000000311, -0.66008006278833 ] - [ 0.00729868012306, -0.23009392467452 ] - [ -0.05814357928229, -0.08898045612008 ] - # 4 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.64004353845058, 0.09947054114818 ] - [ 0.04796681347063, 0.27955220749302 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.09947046722319, 0.64004306279980 ] - [ 0.27955199974276, -0.04796677782256 ] - # 5 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.21900525044309, 0.18024137201849 ] - [ -0.40367870388085, 0.50655071187565 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.18024123807233, -0.21900508768750 ] - [ 0.50655033542829, 0.40367840388759 ] - # 6 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000333, -0.70710651844160 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.1368806699, -0.0000000000, -0.6727572973, 0.0000000000, 0.1692953914, 0.0000000000, 0.0016393146, 0.0000000000, -0.4677105487, 0.0000000000, 0.5303249257, 0.0000000000 ] - [ -0.4441619770, 0.0031656841, 0.0475614477, 0.0013666275, 0.5481218314, 0.0028712397, -0.5372928511, 0.4077145976, -0.1589118803, 0.0197844761, -0.1384886269, 0.0161882561 ] - [ 0.5325208778, -0.0198731485, 0.2123464457, -0.0065019497, 0.4132764977, -0.0097698125, -0.1845354274, 0.1050217086, 0.5055386247, 0.0057880790, 0.4464211425, 0.0047800544 ] - [ -0.0967893218, 0.0967893218, 0.4757116006, -0.4757116006, -0.1197100082, 0.1197100082, 0.0011591696, -0.0011591696, -0.3307210549, 0.3307210549, 0.3749960725, -0.3749960725 ] - [ 0.3118317009, -0.3163086576, -0.0345973995, 0.0326646949, -0.3896112265, 0.3855506774, -0.0916255936, 0.6682206787, -0.0983778579, 0.1263573115, -0.0864793573, 0.1093729915 ] - [ -0.3624969551, 0.3906018522, -0.1455541471, 0.1547492994, -0.2853225254, 0.2991391370, -0.0562246480, 0.2047476623, 0.3615623109, -0.3533767372, 0.3190471888, -0.3122871762 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.13688066985342, -0.00000000000000 ] - [ -0.44416197697668, 0.00316568408190 ] - [ 0.53252087777200, -0.01987314852963 ] - # atom 2 - [ -0.09678932179628, 0.09678932179598 ] - [ 0.31183170092366, -0.31630865761255 ] - [ -0.36249695509903, 0.39060185216179 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.67275729732909, 0.00000000000000 ] - [ 0.04756144772327, 0.00136662748065 ] - [ 0.21234644565586, -0.00650194972107 ] - # atom 2 - [ 0.47571160056211, -0.47571160056061 ] - [ -0.03459739947837, 0.03266469492411 ] - [ -0.14555414711488, 0.15474929942523 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.16929539135350, 0.00000000000000 ] - [ 0.54812183141827, 0.00287123972353 ] - [ 0.41327649770700, -0.00976981254870 ] - # atom 2 - [ -0.11971000821291, 0.11971000821254 ] - [ -0.38961122653311, 0.38555067735644 ] - [ -0.28532252536874, 0.29913913704391 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00163931457103, 0.00000000000000 ] - [ -0.53729285109138, 0.40771459764312 ] - [ -0.18453542742269, 0.10502170864094 ] - # atom 2 - [ 0.00115916958823, -0.00115916958823 ] - [ -0.09162559361660, 0.66822067868024 ] - [ -0.05622464796462, 0.20474766229219 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.46771054874740, 0.00000000000000 ] - [ -0.15891188033423, 0.01978447610121 ] - [ 0.50553862473977, 0.00578807896224 ] - # atom 2 - [ -0.33072105487526, 0.33072105487422 ] - [ -0.09837785787224, 0.12635731150559 ] - [ 0.36156231089314, -0.35337673720669 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.53032492569701, 0.00000000000000 ] - [ -0.13848862686846, 0.01618825606199 ] - [ 0.44642114246077, 0.00478005435449 ] - # atom 2 - [ 0.37499607251297, -0.37499607251179 ] - [ -0.08647935727148, 0.10937299153169 ] - [ 0.31904718884651, -0.31228717617226 ] - q-position: [ 0.6666667, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.3465464169, 0.0000000000, 0.6163081009, 0.0000000000, 0.0083387081, 0.0000000000, -0.0119503432, 0.0000000000, 0.7054541865, 0.0000000000, -0.0468182837, 0.0000000000 ] - [ -0.6105451549, 0.0419760367, 0.3443809711, -0.0235714448, -0.0794543328, -0.0023232268, -0.5906020534, 0.0624292411, 0.0154116131, 0.0023541282, 0.3829718400, 0.0195367844 ] - [ -0.0733271697, 0.0009806789, 0.0317551911, -0.0013018161, 0.7003826365, 0.0554605122, -0.3757755603, 0.0770849761, -0.0456299550, 0.0030999774, -0.5916320221, 0.0270343126 ] - [ -0.3347383829, -0.0896928794, -0.5953083541, -0.1595123927, -0.0080545795, -0.0021582181, -0.0115431366, -0.0030929741, 0.6814159116, 0.1825848432, -0.0452229557, -0.0121174545 ] - [ 0.6006059773, 0.1174750634, -0.3387474646, -0.0663641361, 0.0761457533, 0.0228083763, -0.5866352170, -0.0925569745, 0.0142771713, 0.0062627275, 0.3648656280, 0.1179914029 ] - [ 0.0710824782, 0.0180312184, -0.0310101171, -0.0069613957, -0.6621639322, -0.2348432808, -0.3829220939, -0.0227994855, -0.0448774518, -0.0088155466, -0.5784692149, -0.1270123999 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.34654641693512, 0.00000000000000 ] - [ -0.61054515486521, 0.04197603666580 ] - [ -0.07332716970790, 0.00098067890098 ] - # atom 2 - [ -0.33473838288786, -0.08969287937069 ] - [ 0.60060597726998, 0.11747506337587 ] - [ 0.07108247819150, 0.01803121836614 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.61630810093561, 0.00000000000000 ] - [ 0.34438097108229, -0.02357144482005 ] - [ 0.03175519113792, -0.00130181605842 ] - # atom 2 - [ -0.59530835405089, -0.15951239271577 ] - [ -0.33874746463258, -0.06636413609135 ] - [ -0.03101011707331, -0.00696139566887 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00833870812391, 0.00000000000000 ] - [ -0.07945433280649, -0.00232322681493 ] - [ 0.70038263654527, 0.05546051217552 ] - # atom 2 - [ -0.00805457952057, -0.00215821807791 ] - [ 0.07614575331061, 0.02280837627729 ] - [ -0.66216393221133, -0.23484328077178 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.01195034322583, 0.00000000000000 ] - [ -0.59060205340612, 0.06242924106408 ] - [ -0.37577556028465, 0.07708497609507 ] - # atom 2 - [ -0.01154313657651, -0.00309297412380 ] - [ -0.58663521704202, -0.09255697445486 ] - [ -0.38292209390136, -0.02279948551328 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70545418645597, 0.00000000000000 ] - [ 0.01541161312231, 0.00235412816994 ] - [ -0.04562995497208, 0.00309997740517 ] - # atom 2 - [ 0.68141591156378, 0.18258484321362 ] - [ 0.01427717132447, 0.00626272753537 ] - [ -0.04487745180087, -0.00881554658609 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.04681828367127, 0.00000000000000 ] - [ 0.38297184004334, 0.01953678441771 ] - [ -0.59163202214025, 0.02703431260721 ] - # atom 2 - [ -0.04522295573293, -0.01211745446801 ] - [ 0.36486562800014, 0.11799140288717 ] - [ -0.57846921492650, -0.12701239988953 ] - q-position: [ 0.6666667, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000003, -0.0000000000, 0.0000000003, 0.0000000000, -0.0000000001, 0.0000000001, -0.9906350800, 0.0107335314, 0.0000000000, 0.0000000000, 0.1347032623, -0.0195438167 ] - [ -0.0000000001, 0.0000000000, -0.0000000002, -0.0000000000, 0.0000000002, -0.0000000001, -0.1353407092, -0.0144852360, 0.0000000000, 0.0000000000, -0.9903420774, 0.0263749914 ] - [ 0.0971496181, 0.0161916000, 0.9815981532, 0.1635996618, -0.0000000000, 0.0000000000, 0.0000000003, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000002, -0.0000000000 ] - [ -0.8156722254, -0.1359453456, 0.0807277855, 0.0134546284, 0.4903912542, -0.2627091531, -0.0000000003, -0.0000000001, 0.0000000000, 0.0000000000, 0.0000000002, 0.0000000000 ] - [ -0.5460895120, -0.0910149020, 0.0540469513, 0.0090078236, -0.7324779490, 0.3923982326, -0.0000000001, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000001, -0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000034896, -0.00000000000527 ] - [ -0.00000000007814, 0.00000000000926 ] - # atom 2 - [ 0.09714961811041, 0.01619160000961 ] - [ -0.81567222539547, -0.13594534562611 ] - [ -0.54608951201388, -0.09101490196434 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000031546, 0.00000000002322 ] - [ -0.00000000019758, -0.00000000000957 ] - # atom 2 - [ 0.98159815324146, 0.16359966180614 ] - [ 0.08072778554172, 0.01345462842232 ] - [ 0.05404695125719, 0.00900782355626 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000010165, 0.00000000008967 ] - [ 0.00000000015160, -0.00000000013213 ] - # atom 2 - [ -0.00000000000422, 0.00000000000226 ] - [ 0.49039125424435, -0.26270915305182 ] - [ -0.73247794898307, 0.39239823256102 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.99063507997250, 0.01073353135899 ] - [ -0.13534070921815, -0.01448523595832 ] - # atom 2 - [ 0.00000000031729, 0.00000000002459 ] - [ -0.00000000030871, -0.00000000005461 ] - [ -0.00000000008013, -0.00000000001199 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.13470326225437, -0.01954381668126 ] - [ -0.99034207736334, 0.02637499139765 ] - # atom 2 - [ -0.00000000024912, -0.00000000001742 ] - [ 0.00000000020100, 0.00000000003926 ] - [ -0.00000000012260, -0.00000000002292 ] - q-position: [ 0.6666667, 0.5000000, 0.3333333 ] dynamical_matrix: - [ -0.1085288841, 0.0000000000, 0.6809280553, 0.0000000000, -0.1567102206, 0.0000000000, 0.0187948849, 0.0000000000, 0.4577275568, 0.0000000000, 0.5386395897, 0.0000000000 ] - [ 0.4800396165, -0.0098513761, -0.0425449323, -0.0029026471, -0.5173127931, -0.0057898904, -0.0678230902, -0.4995786479, -0.2107997492, -0.3039808192, 0.1815009204, 0.2757501002 ] - [ -0.5051746655, 0.0498456023, -0.1852091147, 0.0146866988, -0.4549035751, 0.0292954577, -0.4793529872, -0.1252559002, 0.3844948050, -0.0762150090, -0.3100115302, 0.0691369160 ] - [ -0.0767415669, -0.0767415669, 0.4814892032, 0.4814892032, -0.1108109420, -0.1108109420, -0.0132899807, -0.0132899807, -0.3236620188, -0.3236620188, -0.3808754235, -0.3808754235 ] - [ 0.3464055004, 0.3324735403, -0.0280313495, -0.0321363155, -0.3617015821, -0.3698897296, -0.3052970558, 0.4012133185, -0.0658889175, 0.3640045602, 0.0666441846, -0.3233250572 ] - [ -0.3924588867, -0.3219665075, -0.1413477903, -0.1205776462, -0.3423806740, -0.3009506095, 0.2503842654, 0.4275227265, -0.3257707915, -0.2179865722, 0.2680982382, 0.1703239465 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.10852888405410, 0.00000000000000 ] - [ 0.48003961653428, -0.00985137610035 ] - [ -0.50517466546105, 0.04984560232800 ] - # atom 2 - [ -0.07674156690010, -0.07674156690010 ] - [ 0.34640550036697, 0.33247354032422 ] - [ -0.39245888670720, -0.32196650748356 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.68092805531044, 0.00000000000000 ] - [ -0.04254493233954, -0.00290264710688 ] - [ -0.18520911469090, 0.01468669878342 ] - # atom 2 - [ 0.48148920323106, 0.48148920323106 ] - [ -0.02803134954137, -0.03213631549732 ] - [ -0.14134779028174, -0.12057764624031 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.15671022059750, 0.00000000000000 ] - [ -0.51731279310568, -0.00578989035758 ] - [ -0.45490357505431, 0.02929545774589 ] - # atom 2 - [ -0.11081094201538, -0.11081094201538 ] - [ -0.36170158206557, -0.36988972961897 ] - [ -0.34238067397873, -0.30095060952963 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.01879488488013, 0.00000000000000 ] - [ -0.06782309015895, -0.49957864789050 ] - [ -0.47935298722484, -0.12525590018659 ] - # atom 2 - [ -0.01328998067384, -0.01328998067384 ] - [ -0.30529705580390, 0.40121331846809 ] - [ 0.25038426536881, 0.42752272653860 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.45772755680253, 0.00000000000000 ] - [ -0.21079974915299, -0.30398081919803 ] - [ 0.38449480495833, -0.07621500900586 ] - # atom 2 - [ -0.32366201881995, -0.32366201881995 ] - [ -0.06588891754138, 0.36400456019224 ] - [ -0.32577079151506, -0.21798657222298 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.53863958972891, 0.00000000000000 ] - [ 0.18150092044913, 0.27575010024193 ] - [ -0.31001153024984, 0.06913691603552 ] - # atom 2 - [ -0.38087542346335, -0.38087542346335 ] - [ 0.06664418462580, -0.32332505715447 ] - [ 0.26809823820616, 0.17032394654953 ] - q-position: [ 0.6666667, 0.5000000, 0.5000000 ] dynamical_matrix: - [ -0.0500618577, 0.0000000000, -0.0822047985, 0.0000000000, -0.7005254935, 0.0000000000, 0.1739577475, 0.0000000000, 0.2222738612, 0.0000000000, -0.6483311247, 0.0000000000 ] - [ -0.4919190052, 0.0415004797, -0.4395285386, 0.2337974234, 0.0867316532, -0.0304012650, -0.5672671883, -0.1168718220, -0.3081372821, 0.0543369888, -0.2578487741, -0.0127297091 ] - [ 0.4163897286, -0.2835605620, -0.2692908806, 0.4157860108, 0.0018439861, -0.0285272084, -0.0897893001, 0.3552825811, -0.0383451246, -0.5926407880, -0.0372381679, -0.1078529104 ] - [ -0.0250309396, -0.0433548591, -0.0411024169, -0.0711914744, -0.3502628970, -0.6066731336, -0.0869788364, -0.1506517638, -0.1111368829, -0.1924947278, 0.3241654233, 0.5614709832 ] - [ -0.2819000933, -0.4052642891, -0.4222389585, -0.2637442816, 0.0696941243, 0.0599112082, 0.1824195490, 0.5497034710, 0.2011257674, 0.2396861169, 0.1179000850, 0.2296683447 ] - [ 0.4537657092, 0.2188238957, -0.4947269005, -0.0253197491, 0.0256272912, -0.0126666709, 0.3525782396, -0.0998814328, -0.4940692035, 0.3295281047, -0.0747842442, 0.0861756177 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.05006185766762, 0.00000000000000 ] - [ -0.49191900518162, 0.04150047972774 ] - [ 0.41638972856084, -0.28356056204819 ] - # atom 2 - [ -0.02503093957358, -0.04335485910267 ] - [ -0.28190009325626, -0.40526428911083 ] - [ 0.45376570921839, 0.21882389567343 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.08220479849482, 0.00000000000000 ] - [ -0.43952853857355, 0.23379742339769 ] - [ -0.26929088059901, 0.41578601081845 ] - # atom 2 - [ -0.04110241688280, -0.07119147435496 ] - [ -0.42223895845445, -0.26374428155658 ] - [ -0.49472690047425, -0.02531974906096 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.70052549345544, 0.00000000000000 ] - [ 0.08673165321631, -0.03040126503210 ] - [ 0.00184398606864, -0.02852720839653 ] - # atom 2 - [ -0.35026289701138, -0.60667313363072 ] - [ 0.06969412433610, 0.05991120818707 ] - [ 0.02562729120044, -0.01266667085335 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.17395774745750, 0.00000000000000 ] - [ -0.56726718834963, -0.11687182202342 ] - [ -0.08978930013439, 0.35528258112386 ] - # atom 2 - [ -0.08697883640947, -0.15065176384460 ] - [ 0.18241954904661, 0.54970347099980 ] - [ 0.35257823956514, -0.09988143280214 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.22227386116722, 0.00000000000000 ] - [ -0.30813728206718, 0.05433698877208 ] - [ -0.03834512460710, -0.59264078803473 ] - # atom 2 - [ -0.11113688289904, -0.19249472777620 ] - [ 0.20112576738007, 0.23968611689744 ] - [ -0.49406920346784, 0.32952810465058 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.64833112471301, 0.00000000000000 ] - [ -0.25784877414376, -0.01272970907502 ] - [ -0.03723816793650, -0.10785291042355 ] - # atom 2 - [ 0.32416542326956, 0.56147098316064 ] - [ 0.11790008504371, 0.22966834473908 ] - [ -0.07478424424370, 0.08617561766056 ] - q-position: [ 0.6666667, 0.5000000, 0.6666667 ] dynamical_matrix: - [ -0.1049191863, 0.0000000000, 0.6991448725, -0.0000000000, 0.0137195391, 0.0000000000, -0.2531934455, 0.0000000000, 0.6461841977, 0.0000000000, -0.1354224783, 0.0000000000 ] - [ 0.6980652561, 0.0299656924, 0.1048933064, 0.0050273570, -0.0069374503, -0.0270325995, -0.6283001253, -0.1726279359, -0.2463238659, -0.0856925782, -0.0006580600, -0.0861373102 ] - [ 0.0206643580, -0.0192799983, -0.0093395277, -0.0090085848, 0.6339695849, 0.3116332208, 0.0999169795, -0.0367207089, -0.0891283505, -0.0805210578, -0.6120967289, -0.3155605543 ] - [ -0.0271550937, -0.1013441894, 0.1809520755, 0.6753223396, 0.0035508793, 0.0132520621, 0.0655312614, 0.2445659972, -0.1672447149, -0.6241657731, 0.0350499035, 0.1308080206 ] - [ 0.1517280032, 0.6820352046, 0.0222923397, 0.1026203675, 0.0243159507, -0.0136976191, -0.0041297417, 0.6515704731, -0.0190193596, 0.2601093583, -0.0830319032, 0.0229296050 ] - [ 0.0239713866, 0.0149702119, 0.0062843795, -0.0113528886, -0.1369312246, 0.6930244652, -0.0613298755, -0.0870083399, -0.0547092344, 0.1069317191, -0.1463857438, 0.6729128699 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.10491918633867, 0.00000000000000 ] - [ 0.69806525611974, 0.02996569240786 ] - [ 0.02066435797900, -0.01927999833109 ] - # atom 2 - [ -0.02715509371122, -0.10134418941498 ] - [ 0.15172800318674, 0.68203520464497 ] - [ 0.02397138662580, 0.01497021186058 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.69914487253751, -0.00000000000000 ] - [ 0.10489330635899, 0.00502735700380 ] - [ -0.00933952769380, -0.00900858484473 ] - # atom 2 - [ 0.18095207553546, 0.67532233963622 ] - [ 0.02229233970476, 0.10262036748753 ] - [ 0.00628437945556, -0.01135288855049 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.01371953912653, 0.00000000000000 ] - [ -0.00693745031365, -0.02703259946954 ] - [ 0.63396958485252, 0.31163322077155 ] - # atom 2 - [ 0.00355087933539, 0.01325206209127 ] - [ 0.02431595074900, -0.01369761909760 ] - [ -0.13693122457858, 0.69302446522516 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.25319344551441, 0.00000000000000 ] - [ -0.62830012526481, -0.17262793594197 ] - [ 0.09991697954090, -0.03672070888896 ] - # atom 2 - [ 0.06553126144406, 0.24456599719434 ] - [ -0.00412974167265, 0.65157047308354 ] - [ -0.06132987552090, -0.08700833988295 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.64618419767015, 0.00000000000000 ] - [ -0.24632386588425, -0.08569257822590 ] - [ -0.08912835048429, -0.08052105776047 ] - # atom 2 - [ -0.16724471485631, -0.62416577314372 ] - [ -0.01901935960867, 0.26010935830697 ] - [ -0.05470923435844, 0.10693171913406 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.13542247826200, 0.00000000000000 ] - [ -0.00065805995901, -0.08613731016968 ] - [ -0.61209672889266, -0.31556055425671 ] - # atom 2 - [ 0.03504990348530, 0.13080802060806 ] - [ -0.08303190319700, 0.02292960495526 ] - [ -0.14638574383933, 0.67291286990981 ] - q-position: [ 0.6666667, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.6347607957, 0.0000000000, -0.2801852778, 0.0000000000, -0.1362891329, 0.0000000000, -0.1086952071, 0.0000000000, -0.6986605526, 0.0000000000, -0.0076810634, 0.0000000000 ] - [ -0.3034290933, 0.0028319956, -0.4877524232, 0.0220940512, -0.4104791283, -0.0322313889, -0.6270863528, 0.1572935313, 0.0964497304, -0.0272038377, 0.1009832962, 0.2485587259 ] - [ -0.0612600564, -0.0353339542, -0.3272866393, -0.2756608022, 0.3875247767, 0.4021413035, 0.1203325568, 0.2360658665, -0.0128126851, -0.0408274738, -0.5374066493, 0.3730365167 ] - [ 0.0000000000, 0.6347610681, 0.0000000000, -0.2801853980, -0.0000000000, -0.1362891914, -0.0000000000, 0.1086951605, 0.0000000000, 0.6986602528, -0.0000000000, 0.0076810601 ] - [ -0.0028319969, -0.3034292234, -0.0220940606, -0.4877526324, 0.0322314028, -0.4104793045, 0.1572934638, 0.6270860838, -0.0272038260, -0.0964496890, 0.2485586193, -0.1009832529 ] - [ 0.0353339694, -0.0612600827, 0.2756609205, -0.3272867797, -0.4021414760, 0.3875249429, 0.2360657652, -0.1203325052, -0.0408274562, 0.0128126796, 0.3730363566, 0.5374064187 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.63476079573388, 0.00000000000000 ] - [ -0.30342909325745, 0.00283199564785 ] - [ -0.06126005643052, -0.03533395421856 ] - # atom 2 - [ 0.00000000000000, 0.63476106808480 ] - [ -0.00283199686294, -0.30342922344695 ] - [ 0.03533396937897, -0.06126008271480 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.28018527783349, 0.00000000000000 ] - [ -0.48775242316430, 0.02209405115981 ] - [ -0.32728663931241, -0.27566080222504 ] - # atom 2 - [ 0.00000000000000, -0.28018539804998 ] - [ -0.02209406063950, -0.48775263243970 ] - [ 0.27566092050026, -0.32728677973825 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.13628913292831, 0.00000000000000 ] - [ -0.41047912834027, -0.03223138894021 ] - [ 0.38752477666856, 0.40214130345852 ] - # atom 2 - [ -0.00000000000000, -0.13628919140463 ] - [ 0.03223140276943, -0.41047930446074 ] - [ -0.40214147600156, 0.38752494294021 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.10869520712408, 0.00000000000000 ] - [ -0.62708635283320, 0.15729353132689 ] - [ 0.12033255684272, 0.23606586651893 ] - # atom 2 - [ -0.00000000000000, 0.10869516048725 ] - [ 0.15729346383844, 0.62708608377520 ] - [ 0.23606576523239, -0.12033250521277 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.69866055258913, 0.00000000000000 ] - [ 0.09644973035817, -0.02720383771535 ] - [ -0.01281268511702, -0.04082747376031 ] - # atom 2 - [ 0.00000000000000, 0.69866025282146 ] - [ -0.02720382604326, -0.09644968897540 ] - [ -0.04082745624285, 0.01281267961960 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00768106336499, 0.00000000000000 ] - [ 0.10098329618168, 0.24855872594432 ] - [ -0.53740664926656, 0.37303651666988 ] - # atom 2 - [ -0.00000000000000, 0.00768106006935 ] - [ 0.24855861929758, -0.10098325285373 ] - [ 0.37303635661464, 0.53740641868658 ] - q-position: [ 0.6666667, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.3186032262, 0.0000000000, 0.2524135861, 0.0000000000, -0.5786010543, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6175921842, 0.0000000000, -0.0095111266, 0.0000000000, -0.3442226703, 0.0000000000, 0.7064606086, 0.0000000000, -0.0000000000, 0.0000000000, 0.0302257230, 0.0000000000 ] - [ 0.1306586871, 0.0000000000, -0.6604519167, 0.0000000000, -0.2161744376, 0.0000000000, -0.0302257230, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064606086, 0.0000000000 ] - [ -0.3186033446, 0.0000000000, -0.2524136799, 0.0000000000, 0.5786012693, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071066498, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6175924137, 0.0000000000, 0.0095111301, 0.0000000000, 0.3442227982, 0.0000000000, 0.7064603461, 0.0000000000, 0.0000000000, 0.0000000000, 0.0302257118, 0.0000000000 ] - [ -0.1306587356, 0.0000000000, 0.6604521621, 0.0000000000, 0.2161745179, 0.0000000000, -0.0302257118, 0.0000000000, 0.0000000000, 0.0000000000, 0.7064603461, 0.0000000000 ] band: - # 1 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.31860322620826, 0.00000000000000 ] - [ -0.61759218417590, 0.00000000000000 ] - [ 0.13065868706606, 0.00000000000000 ] - # atom 2 - [ -0.31860334459404, 0.00000000000000 ] - [ 0.61759241365924, 0.00000000000000 ] - [ -0.13065873561589, 0.00000000000000 ] - # 2 frequency: 644.4479832027 eigenvector: - # atom 1 - [ 0.25241358609809, 0.00000000000000 ] - [ -0.00951112657104, 0.00000000000000 ] - [ -0.66045191667202, 0.00000000000000 ] - # atom 2 - [ -0.25241367988929, 0.00000000000000 ] - [ 0.00951113010516, 0.00000000000000 ] - [ 0.66045216208107, 0.00000000000000 ] - # 3 frequency: 644.4479832027 eigenvector: - # atom 1 - [ -0.57860105428014, 0.00000000000000 ] - [ -0.34422267026953, 0.00000000000000 ] - [ -0.21617443759548, 0.00000000000000 ] - # atom 2 - [ 0.57860126927525, 0.00000000000000 ] - [ 0.34422279817492, 0.00000000000000 ] - [ 0.21617451792103, 0.00000000000000 ] - # 4 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70646060856596, 0.00000000000000 ] - [ -0.03022572304037, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70646034606121, 0.00000000000000 ] - [ -0.03022571180917, 0.00000000000000 ] - # 5 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710664981409, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2166497439 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03022572304037, 0.00000000000000 ] - [ 0.70646060856596, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03022571180917, 0.00000000000000 ] - [ 0.70646034606121, 0.00000000000000 ] - q-position: [ 0.6666667, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.2421034589, 0.0000000000, 0.6462639552, 0.0000000000, 0.1540403966, 0.0000000000, 0.0262734142, 0.0000000000, -0.0262734142, 0.0000000000, 0.7061301488, 0.0000000000 ] - [ -0.5864408224, -0.0377544499, 0.1317327874, 0.0062858587, 0.3690278691, 0.0329664111, 0.3686780681, -0.1190901931, -0.5291821980, -0.2621377675, -0.0334072334, -0.0053224582 ] - [ -0.3093217512, -0.0191666678, 0.2540733996, 0.0199046954, -0.5797869666, -0.0533845070, -0.5703223812, -0.1547141518, -0.1980378109, -0.3336781337, 0.0138518186, -0.0066588218 ] - [ -0.2338541574, 0.0626610326, -0.6242435089, 0.1672655441, -0.1487917080, 0.0398686180, 0.0253781505, -0.0068000549, -0.0253781505, 0.0068000549, 0.6820688405, -0.1827597950 ] - [ 0.5762303349, -0.1153141411, -0.1288710972, 0.0280233019, -0.3649861557, 0.0636683801, 0.3252926157, -0.2104530423, -0.5789965682, -0.1162431222, -0.0336464380, 0.0035053258 ] - [ 0.3037427925, -0.0615448266, -0.2505679590, 0.0465326099, 0.5738485583, -0.0984945082, -0.5909316472, -0.0018320995, -0.2776518857, -0.2710521685, 0.0116563908, -0.0100170350 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.24210345889922, 0.00000000000000 ] - [ -0.58644082240665, -0.03775444992725 ] - [ -0.30932175123101, -0.01916666775225 ] - # atom 2 - [ -0.23385415737441, 0.06266103261526 ] - [ 0.57623033485944, -0.11531414111888 ] - [ 0.30374279252022, -0.06154482663472 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.64626395522440, 0.00000000000000 ] - [ 0.13173278740692, 0.00628585865452 ] - [ 0.25407339963847, 0.01990469541213 ] - # atom 2 - [ -0.62424350886026, 0.16726554407983 ] - [ -0.12887109723112, 0.02802330185626 ] - [ -0.25056795895417, 0.04653260989844 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.15404039661516, 0.00000000000000 ] - [ 0.36902786912474, 0.03296641109580 ] - [ -0.57978696656439, -0.05338450696627 ] - # atom 2 - [ -0.14879170795760, 0.03986861798777 ] - [ -0.36498615568936, 0.06366838014122 ] - [ 0.57384855832471, -0.09849450824359 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.02627341421903, 0.00000000000000 ] - [ 0.36867806805574, -0.11909019313001 ] - [ -0.57032238123801, -0.15471415183048 ] - # atom 2 - [ 0.02537815047904, -0.00680005492627 ] - [ 0.32529261571144, -0.21045304232738 ] - [ -0.59093164723524, -0.00183209947100 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.02627341421903, 0.00000000000000 ] - [ -0.52918219795675, -0.26213776754724 ] - [ -0.19803781088207, -0.33367813373776 ] - # atom 2 - [ -0.02537815047904, 0.00680005492627 ] - [ -0.57899656821655, -0.11624312217225 ] - [ -0.27765188572007, -0.27105216850461 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70613014876009, 0.00000000000000 ] - [ -0.03340723338491, -0.00532245816482 ] - [ 0.01385181859391, -0.00665882179821 ] - # atom 2 - [ 0.68206884052570, -0.18275979500168 ] - [ -0.03364643804665, 0.00350532583848 ] - [ 0.01165639075909, -0.01001703496475 ] - q-position: [ 0.6666667, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.1310898546, -0.0000000000, 0.2890156056, 0.0000000000, 0.6318900681, 0.0000000000, -0.0919464744, 0.0000000000, 0.6774983617, 0.0000000000, -0.1803945324, 0.0000000000 ] - [ -0.4699105874, -0.0447313183, -0.4339517359, 0.0350163934, 0.2959681498, -0.0067360801, -0.6521600321, -0.0848581831, -0.0385792020, -0.0558464409, 0.1875138291, -0.1664876481 ] - [ 0.3647154618, 0.3563437376, -0.3861545802, -0.2789515933, 0.1009577555, 0.0536617311, 0.0464458156, -0.2384856073, -0.1084230664, -0.1569509489, -0.4308721434, -0.4678972186 ] - [ -0.0000000000, 0.1310899520, -0.0000000000, 0.2890158204, -0.0000000000, 0.6318905377, -0.0000000000, 0.0919464060, 0.0000000000, -0.6774978582, -0.0000000000, 0.1803943984 ] - [ 0.0447313516, -0.4699109367, -0.0350164195, -0.4339520584, 0.0067360852, 0.2959683698, -0.0848581201, 0.6521595475, -0.0558463994, 0.0385791733, -0.1664875243, -0.1875136897 ] - [ -0.3563440024, 0.3647157328, 0.2789518006, -0.3861548672, -0.0536617710, 0.1009578306, -0.2384854301, -0.0464457811, -0.1569508323, 0.1084229858, -0.4678968709, 0.4308718232 ] band: - # 1 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.13108985459086, -0.00000000000000 ] - [ -0.46991058744332, -0.04473131833823 ] - [ 0.36471546180420, 0.35634373761201 ] - # atom 2 - [ -0.00000000000062, 0.13108995201095 ] - [ 0.04473135158275, -0.46991093665955 ] - [ -0.35634400243238, 0.36471573284266 ] - # 2 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.28901560561704, 0.00000000000000 ] - [ -0.43395173590995, 0.03501639344867 ] - [ -0.38615458023581, -0.27895159326648 ] - # atom 2 - [ -0.00000000000136, 0.28901582040046 ] - [ -0.03501641946923, -0.43395205840355 ] - [ 0.27895180057259, -0.38615486720723 ] - # 3 frequency: 789.2843623072 eigenvector: - # atom 1 - [ 0.63189006809394, 0.00000000000000 ] - [ 0.29596814981657, -0.00673608014653 ] - [ 0.10095775552563, 0.05366173109844 ] - # atom 2 - [ -0.00000000000298, 0.63189053768625 ] - [ 0.00673608515108, 0.29596836976683 ] - [ -0.05366177097790, 0.10095783055264 ] - # 4 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.09194647437656, 0.00000000000000 ] - [ -0.65216003211316, -0.08485818313009 ] - [ 0.04644581563169, -0.23848560733815 ] - # atom 2 - [ -0.00000000000043, 0.09194640604612 ] - [ -0.08485812007042, 0.65215954745709 ] - [ -0.23848543010628, -0.04644578111640 ] - # 5 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ 0.67749836169646, 0.00000000000000 ] - [ -0.03857920201530, -0.05584644085828 ] - [ -0.10842306638911, -0.15695094891756 ] - # atom 2 - [ 0.00000000000319, -0.67749785821049 ] - [ -0.05584639935593, 0.03857917334473 ] - [ -0.15695083227927, 0.10842298581328 ] - # 6 frequency: 1018.9617302121 eigenvector: - # atom 1 - [ -0.18039453241641, 0.00000000000000 ] - [ 0.18751382909492, -0.16648764807308 ] - [ -0.43087214343163, -0.46789721863198 ] - # atom 2 - [ -0.00000000000085, 0.18039439835540 ] - [ -0.16648752434615, -0.18751368974395 ] - [ -0.46789687091408, 0.43087182322485 ] - q-position: [ 0.6666667, 0.6666667, 0.5000000 ] dynamical_matrix: - [ 0.1283719575, 0.0000000000, 0.1425529835, 0.0000000000, -0.6805873211, 0.0000000000, -0.0085190513, 0.0000000000, -0.1701661629, 0.0000000000, -0.6862733337, 0.0000000000 ] - [ -0.6584865018, -0.0451326900, 0.2374569024, -0.0458187763, -0.0744665817, -0.0181099098, -0.4485505979, -0.2459032108, -0.4724591959, 0.0074436775, 0.1227175673, 0.0012068078 ] - [ -0.0424095994, 0.2146635689, 0.0628609139, 0.6459425871, 0.0051673127, 0.1757861509, 0.1059933087, -0.4764735062, 0.1449048889, 0.4762070304, -0.0372459049, -0.1121640855 ] - [ 0.0332251198, 0.1239978352, 0.0368954408, 0.1376956595, -0.1761490260, -0.6573971148, 0.0022048919, 0.0082287686, 0.0440422274, 0.1643678304, 0.1776205429, 0.6628888906 ] - [ -0.1268340639, -0.6477305588, 0.1057159474, 0.2175070636, -0.0017805406, -0.0766164125, -0.1214307796, 0.4969108564, 0.1294714301, 0.4544338049, -0.0305959454, -0.1188483683 ] - [ -0.2183255783, 0.0145944980, -0.6076632513, 0.2279013085, -0.1684590467, 0.0504880633, -0.4876709709, 0.0209387359, 0.4224763674, -0.2632187256, -0.0987022007, 0.0650069589 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.12837195754997, 0.00000000000000 ] - [ -0.65848650183965, -0.04513268995616 ] - [ -0.04240959939100, 0.21466356886506 ] - # atom 2 - [ 0.03322511981660, 0.12399783524362 ] - [ -0.12683406390847, -0.64773055878915 ] - [ -0.21832557827255, 0.01459449800037 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.14255298349490, 0.00000000000000 ] - [ 0.23745690243692, -0.04581877628730 ] - [ 0.06286091391437, 0.64594258710388 ] - # atom 2 - [ 0.03689544077403, 0.13769565953691 ] - [ 0.10571594736801, 0.21750706358878 ] - [ -0.60766325126415, 0.22790130848162 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.68058732108583, 0.00000000000000 ] - [ -0.07446658172634, -0.01810990983397 ] - [ 0.00516731273419, 0.17578615087491 ] - # atom 2 - [ -0.17614902600461, -0.65739711475575 ] - [ -0.00178054061559, -0.07661641252398 ] - [ -0.16845904668202, 0.05048806329420 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00851905126863, 0.00000000000000 ] - [ -0.44855059785071, -0.24590321082756 ] - [ 0.10599330865323, -0.47647350623868 ] - # atom 2 - [ 0.00220489189523, 0.00822876857823 ] - [ -0.12143077956944, 0.49691085643444 ] - [ -0.48767097094381, 0.02093873587849 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.17016616288300, 0.00000000000000 ] - [ -0.47245919592414, 0.00744367745877 ] - [ 0.14490488888507, 0.47620703042709 ] - # atom 2 - [ 0.04404222742087, 0.16436783041387 ] - [ 0.12947143012984, 0.45443380486173 ] - [ 0.42247636739561, -0.26321872560929 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.68627333371176, 0.00000000000000 ] - [ 0.12271756731879, 0.00120680782507 ] - [ -0.03724590494703, -0.11216408549866 ] - # atom 2 - [ 0.17762054291012, 0.66288889061130 ] - [ -0.03059594537626, -0.11884836830015 ] - [ -0.09870220073743, 0.06500695886018 ] - q-position: [ 0.6666667, 0.6666667, 0.6666667 ] dynamical_matrix: - [ -0.2824241719, 0.0000000000, -0.5637847633, 0.0000000000, 0.3199737291, 0.0000000000, 0.6133485327, 0.0000000000, 0.0000000000, 0.0000000000, 0.3518575249, 0.0000000000 ] - [ 0.5536690816, 0.0314091173, -0.0290464638, -0.0101343034, 0.4375158504, 0.0098668354, -0.1297596743, 0.1295106953, 0.5982005315, 0.0800922760, 0.2261935591, -0.2257595455 ] - [ -0.2853169282, -0.1769031162, 0.3689594174, 0.2122949536, 0.3982617605, 0.2179145903, 0.2154498878, 0.2092234940, -0.0431824299, 0.3658917457, -0.3755664244, -0.3647127430 ] - [ -0.0533731666, -0.2773351092, -0.1065453354, -0.5536258027, 0.0604693679, 0.3142080526, -0.1159119449, -0.6022961334, -0.0000000000, -0.0000000000, -0.0664948033, -0.3455171334 ] - [ 0.0737905012, 0.5496281646, 0.0044624239, -0.0304382731, 0.0729937044, 0.4314968140, 0.1516992089, 0.1029462209, -0.0344002109, -0.6025571089, -0.2644379632, -0.1794530714 ] - [ 0.1197956140, -0.3136072962, -0.1387427691, 0.4024310436, -0.1387235204, 0.4322673931, 0.1647371446, -0.2511070431, 0.3674591706, -0.0267427286, -0.2871653404, 0.4377230144 ] band: - # 1 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.28242417193835, 0.00000000000000 ] - [ 0.55366908164119, 0.03140911727397 ] - [ -0.28531692822320, -0.17690311619028 ] - # atom 2 - [ -0.05337316664747, -0.27733510918376 ] - [ 0.07379050118271, 0.54962816459289 ] - [ 0.11979561400136, -0.31360729619478 ] - # 2 frequency: 530.3005566345 eigenvector: - # atom 1 - [ -0.56378476334080, 0.00000000000000 ] - [ -0.02904646383947, -0.01013430336927 ] - [ 0.36895941740767, 0.21229495359412 ] - # atom 2 - [ -0.10654533541010, -0.55362580272128 ] - [ 0.00446242390566, -0.03043827312621 ] - [ -0.13874276905480, 0.40243104358836 ] - # 3 frequency: 530.3005566345 eigenvector: - # atom 1 - [ 0.31997372905699, 0.00000000000000 ] - [ 0.43751585038354, 0.00986683538069 ] - [ 0.39826176045040, 0.21791459027793 ] - # atom 2 - [ 0.06046936792470, 0.31420805264262 ] - [ 0.07299370441397, 0.43149681398872 ] - [ -0.13872352040102, 0.43226739312772 ] - # 4 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.61334853271655, 0.00000000000000 ] - [ -0.12975967431614, 0.12951069527475 ] - [ 0.21544988777591, 0.20922349400980 ] - # atom 2 - [ -0.11591194491113, -0.60229613337280 ] - [ 0.15169920893644, 0.10294622089105 ] - [ 0.16473714460903, -0.25110704312386 ] - # 5 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.59820053154429, 0.08009227604564 ] - [ -0.04318242988347, 0.36589174569860 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.03440021090359, -0.60255710889633 ] - [ 0.36745917056792, -0.02674272855883 ] - # 6 frequency: 1174.7485398385 eigenvector: - # atom 1 - [ 0.35185752494086, 0.00000000000000 ] - [ 0.22619355905764, -0.22575954551838 ] - [ -0.37556642440293, -0.36471274298401 ] - # atom 2 - [ -0.06649480331660, -0.34551713335220 ] - [ -0.26443796315303, -0.17945307136135 ] - [ -0.28716534042251, 0.43772301439540 ] - q-position: [ 0.6666667, 0.6666667, 0.8333333 ] dynamical_matrix: - [ -0.1677797253, 0.0000000000, -0.6863556473, 0.0000000000, -0.0276721662, 0.0000000000, 0.2298917333, 0.0000000000, -0.6434936604, 0.0000000000, 0.1818401508, 0.0000000000 ] - [ -0.6822746659, -0.0113745765, 0.1696227429, 0.0037856274, -0.0704560481, -0.0249298668, -0.5976931523, -0.1562651069, -0.2358518261, -0.1146507582, -0.0789948757, -0.2081662362 ] - [ -0.0728289784, -0.0302929455, -0.0040266989, -0.0106472916, 0.5414456307, 0.4477557223, 0.2296607134, -0.1129158988, -0.0929959267, -0.0921787768, -0.6194417912, -0.1834469814 ] - [ -0.0120151179, -0.1673490036, -0.0491516123, -0.6845936446, -0.0019816717, -0.0276011266, -0.0164631019, -0.2293014296, 0.0460821343, 0.6418413318, -0.0130220121, -0.1813732314 ] - [ -0.0375139873, -0.6813377012, 0.0083711919, 0.1694583879, 0.0198203367, -0.0720604633, -0.1130616084, 0.6073489493, -0.0974664456, 0.2434566359, -0.2019747044, 0.0936993235 ] - [ 0.0249997160, -0.0748113650, 0.0103315962, -0.0047788403, -0.4078319996, 0.5721205250, -0.1290725175, -0.2209848228, -0.0852824223, 0.0993582815, -0.1386162142, 0.6309883029 ] band: - # 1 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.16777972533914, 0.00000000000000 ] - [ -0.68227466587029, -0.01137457653287 ] - [ -0.07282897841135, -0.03029294548101 ] - # atom 2 - [ -0.01201511787197, -0.16734900355638 ] - [ -0.03751398728374, -0.68133770115472 ] - [ 0.02499971598146, -0.07481136503496 ] - # 2 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.68635564726845, 0.00000000000000 ] - [ 0.16962274294085, 0.00378562740279 ] - [ -0.00402669887196, -0.01064729159142 ] - # atom 2 - [ -0.04915161225443, -0.68459364457473 ] - [ 0.00837119189264, 0.16945838785732 ] - [ 0.01033159622423, -0.00477884026638 ] - # 3 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.02767216624641, 0.00000000000000 ] - [ -0.07045604813450, -0.02492986684469 ] - [ 0.54144563066687, 0.44775572226864 ] - # atom 2 - [ -0.00198167173388, -0.02760112664521 ] - [ 0.01982033672662, -0.07206046328936 ] - [ -0.40783199964289, 0.57212052504517 ] - # 4 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.22989173329430, 0.00000000000000 ] - [ -0.59769315229357, -0.15626510689754 ] - [ 0.22966071336172, -0.11291589884448 ] - # atom 2 - [ -0.01646310193932, -0.22930142961138 ] - [ -0.11306160836181, 0.60734894932267 ] - [ -0.12907251748995, -0.22098482280409 ] - # 5 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ -0.64349366038426, 0.00000000000000 ] - [ -0.23585182606272, -0.11465075822141 ] - [ -0.09299592670461, -0.09217877676998 ] - # atom 2 - [ 0.04608213430037, 0.64184133181977 ] - [ -0.09746644557448, 0.24345663591569 ] - [ -0.08528242225572, 0.09935828145141 ] - # 6 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.18184015082283, 0.00000000000000 ] - [ -0.07899487565047, -0.20816623624841 ] - [ -0.61944179121396, -0.18344698143216 ] - # atom 2 - [ -0.01302201213049, -0.18137323142040 ] - [ -0.20197470440845, 0.09369932349300 ] - [ -0.13861621420401, 0.63098830290027 ] - q-position: [ 0.6666667, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.1456458783, 0.0000000000, -0.2093657342, 0.0000000000, -0.6595097627, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000 ] - [ -0.6243178276, -0.0189876493, 0.2501912709, 0.0045164053, -0.2172989781, -0.0056269878, -0.2213450629, -0.0706119118, -0.6676434131, -0.0165146750, -0.0000000000, -0.0000000000 ] - [ 0.2966047834, 0.0260664426, 0.6254611628, 0.0484573295, -0.1330546966, -0.0096265966, 0.6669779439, -0.0340717464, -0.2194109743, 0.0764100995, 0.0000000000, -0.0000000000 ] - [ -0.1452719782, -0.0104300588, 0.2088282534, 0.0149931940, 0.6578166783, 0.0472291126, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7052912093, 0.0506376305 ] - [ 0.6213553354, 0.0636478362, -0.2492255525, -0.0224216217, 0.2163381688, 0.0211738553, -0.2157200154, -0.0862816525, -0.6647464183, -0.0642838259, 0.0000000000, 0.0000000000 ] - [ -0.2939766618, -0.0472401216, -0.6203853393, -0.0931237393, 0.1320237362, 0.0191302567, 0.6677052736, 0.0137796417, -0.2243194942, 0.0605013483, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.14564587829161, 0.00000000000000 ] - [ -0.62431782762462, -0.01898764925774 ] - [ 0.29660478342497, 0.02606644257996 ] - # atom 2 - [ -0.14527197821386, -0.01043005876715 ] - [ 0.62135533540063, 0.06364783617322 ] - [ -0.29397666181911, -0.04724012159517 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.20936573421338, 0.00000000000000 ] - [ 0.25019127093471, 0.00451640526396 ] - [ 0.62546116278130, 0.04845732945667 ] - # atom 2 - [ 0.20882825340570, 0.01499319402161 ] - [ -0.24922555251121, -0.02242162170529 ] - [ -0.62038533928395, -0.09312373925445 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.65950976265019, 0.00000000000000 ] - [ -0.21729897809949, -0.00562698775226 ] - [ -0.13305469660922, -0.00962659659609 ] - # atom 2 - [ 0.65781667833897, 0.04722911257524 ] - [ 0.21633816877632, 0.02117385531228 ] - [ 0.13202373623194, 0.01913025667834 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.22134506286510, -0.07061191176790 ] - [ 0.66697794386309, -0.03407174643225 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21572001541851, -0.08628165252144 ] - [ 0.66770527361820, 0.01377964170059 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66764341306874, -0.01651467501072 ] - [ -0.21941097426420, 0.07641009953341 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.66474641832145, -0.06428382589543 ] - [ -0.22431949418117, 0.06050134828498 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.70529120930997, 0.05063763054311 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.2067061999, 0.0000000000, 0.6762191452, 0.0000000000, -0.0000000000, 0.0000000000, -0.2157025883, 0.0000000000, 0.6734037481, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6740575625, 0.0000000000, 0.2060454488, -0.0000000000, 0.0564930174, 0.0000000000, -0.5603974899, 0.0000000000, -0.1795047761, 0.0000000000, -0.3920878769, 0.0000000000 ] - [ -0.0540253172, 0.0000000000, 0.0165144215, -0.0000000000, -0.7048463127, -0.0000000000, 0.3733996000, 0.0000000000, 0.1196061952, 0.0000000000, -0.5884448244, 0.0000000000 ] - [ -0.2067062886, 0.0000000000, -0.6762194354, 0.0000000000, 0.0000000000, 0.0000000000, -0.2157024957, 0.0000000000, 0.6734034592, -0.0000000000, 0.0000000000, -0.0000000000 ] - [ 0.6740578517, -0.0000000000, -0.2060455372, 0.0000000000, -0.0564930416, -0.0000000000, -0.5603972494, 0.0000000000, -0.1795046991, 0.0000000000, -0.3920877087, 0.0000000000 ] - [ 0.0540253403, -0.0000000000, -0.0165144286, 0.0000000000, 0.7048466151, 0.0000000000, 0.3733994398, -0.0000000000, 0.1196061439, -0.0000000000, -0.5884445719, 0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.20670619990080, 0.00000000000000 ] - [ -0.67405756245128, 0.00000000000085 ] - [ -0.05402531716249, 0.00000000000000 ] - # atom 2 - [ -0.20670628859031, 0.00000000000032 ] - [ 0.67405785166289, -0.00000000000191 ] - [ 0.05402534034263, -0.00000000000008 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.67621914524233, 0.00000000000000 ] - [ 0.20604544877056, -0.00000000000026 ] - [ 0.01651442152690, -0.00000000000000 ] - # atom 2 - [ -0.67621943538139, 0.00000000000106 ] - [ -0.20604553717656, 0.00000000000058 ] - [ -0.01651442861259, 0.00000000000003 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.05649301738158, 0.00000000000167 ] - [ -0.70484631265036, -0.00000000002168 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05649304162052, -0.00000000000158 ] - [ 0.70484661507222, 0.00000000002057 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.21570258825350, 0.00000000000000 ] - [ -0.56039748988813, 0.00000000000085 ] - [ 0.37339959999728, 0.00000000000000 ] - # atom 2 - [ -0.21570249570403, 0.00000000000034 ] - [ -0.56039724944369, 0.00000000000173 ] - [ 0.37339943978625, -0.00000000000059 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.67340374809697, 0.00000000000000 ] - [ -0.17950477608899, 0.00000000000027 ] - [ 0.11960619524297, 0.00000000000000 ] - # atom 2 - [ 0.67340345916601, -0.00000000000106 ] - [ -0.17950469907058, 0.00000000000055 ] - [ 0.11960614392467, -0.00000000000019 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.39208787690852, 0.00000000000251 ] - [ -0.58844482435627, 0.00000000000289 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.39208770867909, 0.00000000000313 ] - [ -0.58844457187782, 0.00000000000381 ] - q-position: [ 0.6666667, 0.8333333, 0.3333333 ] dynamical_matrix: - [ -0.2291597291, 0.0000000000, 0.3699450915, 0.0000000000, 0.5573383857, -0.0000000000, -0.3643035263, 0.0000000000, -0.4848750316, 0.0000000000, 0.3635650094, 0.0000000000 ] - [ -0.3417895421, 0.0605646887, 0.4372741434, 0.0514175827, -0.4307828566, -0.0092272393, 0.5979087848, 0.0032266957, -0.2188122209, -0.0095762062, 0.3073004645, -0.0095382299 ] - [ 0.4365867554, 0.3693091921, 0.2588166414, 0.3198464623, 0.0077155218, -0.0604566906, -0.0959267612, -0.0240008790, 0.4614552277, 0.0631280953, 0.5193064675, 0.0601422904 ] - [ 0.1620405189, -0.1620405189, -0.2615908773, 0.2615908773, -0.3940980448, 0.3940980448, -0.2576013025, 0.2576013024, -0.3428581681, 0.3428581681, 0.2570790925, -0.2570790925 ] - [ 0.1988561486, -0.2845076165, -0.3455574903, 0.2728419934, 0.3111343538, -0.2980850572, 0.4250666588, -0.4205034254, -0.1614948855, 0.1479520949, 0.2105495388, -0.2240386228 ] - [ -0.5698549129, 0.0475724565, -0.4091769088, -0.0431546323, 0.0372936658, 0.0482050695, -0.0848015846, 0.0508592413, 0.3709361494, -0.2816596071, 0.4097318416, -0.3246778620 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.22915972911593, 0.00000000000000 ] - [ -0.34178954209118, 0.06056468874353 ] - [ 0.43658675537745, 0.36930919213798 ] - # atom 2 - [ 0.16204051885415, -0.16204051885364 ] - [ 0.19885614862161, -0.28450761649513 ] - [ -0.56985491290924, 0.04757245654113 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.36994509153979, 0.00000000000000 ] - [ 0.43727414343969, 0.05141758268165 ] - [ 0.25881664144494, 0.31984646230595 ] - # atom 2 - [ -0.26159087729732, 0.26159087729650 ] - [ -0.34555749025320, 0.27284199344055 ] - [ -0.40917690876631, -0.04315463225663 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.55733838574041, -0.00000000000000 ] - [ -0.43078285660174, -0.00922723931643 ] - [ 0.00771552183835, -0.06045669059979 ] - # atom 2 - [ -0.39409804484897, 0.39409804484773 ] - [ 0.31113435383565, -0.29808505715249 ] - [ 0.03729366579380, 0.04820506952737 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.36430352634339, 0.00000000000000 ] - [ 0.59790878484292, 0.00322669569994 ] - [ -0.09592676124431, -0.02400087896025 ] - # atom 2 - [ -0.25760130245028, 0.25760130244947 ] - [ 0.42506665881391, -0.42050342538326 ] - [ -0.08480158461970, 0.05085924130945 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.48487503156919, 0.00000000000000 ] - [ -0.21881222089607, -0.00957620615999 ] - [ 0.46145522770793, 0.06312809534045 ] - # atom 2 - [ -0.34285816805437, 0.34285816805329 ] - [ -0.16149488550035, 0.14795209493673 ] - [ 0.37093614936224, -0.28165960711029 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.36356500936138, 0.00000000000000 ] - [ 0.30730046445204, -0.00953822989814 ] - [ 0.51930646747959, 0.06014229042270 ] - # atom 2 - [ 0.25707909247236, -0.25707909247155 ] - [ 0.21054953876372, -0.22403862282154 ] - [ 0.40973184156905, -0.32467786198823 ] - q-position: [ 0.6666667, 0.8333333, 0.5000000 ] dynamical_matrix: - [ -0.3000346515, 0.0000000000, -0.6312967181, 0.0000000000, -0.1069740484, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.5773427419, -0.0141812752, -0.2161190547, 0.0129362455, -0.3438925515, -0.0365671436, 0.6144104407, -0.1930348303, -0.0000000000, 0.0000000000, -0.1920996702, -0.2198528962 ] - [ 0.2124784149, 0.1769354862, -0.1689347849, -0.1614016275, 0.4010046243, 0.4562372045, -0.0361636744, -0.2897063477, 0.0000000000, -0.0000000000, 0.5530754275, -0.3299548558 ] - [ -0.0000000000, -0.3000347803, -0.0000000000, -0.6312969890, -0.0000000000, -0.1069740943, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071066295, 0.0000000000, 0.0000000000 ] - [ 0.0141812812, 0.5773429897, -0.0129362511, -0.2161191474, 0.0365671593, -0.3438926990, -0.1930347474, -0.6144101770, -0.0000000000, -0.0000000000, -0.2198528018, 0.1920995877 ] - [ -0.1769355622, 0.2124785061, 0.1614016968, -0.1689348573, -0.4562374002, 0.4010047964, -0.2897062234, 0.0361636588, -0.0000000000, -0.0000000000, -0.3299547142, -0.5530751902 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.30003465154528, 0.00000000000000 ] - [ 0.57734274194932, -0.01418127515228 ] - [ 0.21247841491083, 0.17693548624364 ] - # atom 2 - [ -0.00000000000000, -0.30003478027836 ] - [ 0.01418128123691, 0.57734298966440 ] - [ -0.17693556215971, 0.21247850607697 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.63129671812578, 0.00000000000000 ] - [ -0.21611905471141, 0.01293624551094 ] - [ -0.16893478485928, -0.16140162750290 ] - # atom 2 - [ -0.00000000000000, -0.63129698899040 ] - [ -0.01293625106137, -0.21611914743960 ] - [ 0.16140169675399, -0.16893485734256 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.10697404837347, 0.00000000000000 ] - [ -0.34389255149782, -0.03656714358874 ] - [ 0.40100462432276, 0.45623720447825 ] - # atom 2 - [ -0.00000000000000, -0.10697409427183 ] - [ 0.03656715927826, -0.34389269904860 ] - [ -0.45623740023171, 0.40100479637809 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.61441044066865, -0.19303483026587 ] - [ -0.03616367436300, -0.28970634768409 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.19303474744224, -0.61441017704938 ] - [ -0.28970622338254, 0.03616365884660 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.70710662949069 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19209967016805, -0.21985289616745 ] - [ 0.55307542746069, -0.32995485575696 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21985280183725, 0.19209958774567 ] - [ -0.32995471418635, -0.55307519015786 ] - q-position: [ 0.6666667, 0.8333333, 0.6666667 ] dynamical_matrix: - [ 0.0974809988, 0.0000000000, -0.3087103228, 0.0000000000, -0.6286455687, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.4928005035, -0.0149803796, 0.4205431355, 0.0020644949, -0.2829331841, -0.0033367502, 0.5756018324, 0.1164845059, -0.0000000000, -0.0000000000, 0.2617650507, 0.2942670371 ] - [ -0.4858756619, 0.1065148234, -0.4638610305, 0.1125608705, 0.1524468611, -0.0387587736, -0.3860074076, 0.0781812777, 0.0000000000, 0.0000000000, 0.5302588822, 0.2524116231 ] - [ 0.0069808535, 0.0972307469, -0.0221075038, -0.3079178060, -0.0450188519, -0.6270317185, 0.0000000000, 0.0000000000, -0.0506376305, -0.7052912093, 0.0000000000, -0.0000000000 ] - [ -0.0203487312, -0.4926081747, 0.0280569310, 0.4196113665, -0.0169333555, -0.2824457948, 0.0749651666, -0.5824655695, -0.0000000000, -0.0000000000, 0.2747658068, -0.2821660772 ] - [ -0.1410361285, -0.4770005407, -0.1454901325, -0.4546094527, 0.0495763665, 0.1492798907, 0.1056234502, 0.3794174884, -0.0000000000, -0.0000000000, 0.2137903755, -0.5469731174 ] band: - # 1 frequency: 530.3005566342 eigenvector: - # atom 1 - [ 0.09748099877315, 0.00000000000000 ] - [ -0.49280050352367, -0.01498037964027 ] - [ -0.48587566186171, 0.10651482337321 ] - # atom 2 - [ 0.00698085354574, 0.09723074690576 ] - [ -0.02034873119865, -0.49260817465787 ] - [ -0.14103612850749, -0.47700054070980 ] - # 2 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.30871032282790, 0.00000000000000 ] - [ 0.42054313549882, 0.00206449489811 ] - [ -0.46386103050771, 0.11256087045863 ] - # atom 2 - [ -0.02210750380938, -0.30791780597083 ] - [ 0.02805693101301, 0.41961136654290 ] - [ -0.14549013248837, -0.45460945274282 ] - # 3 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.62864556867493, 0.00000000000000 ] - [ -0.28293318407891, -0.00333675024581 ] - [ 0.15244686108179, -0.03875877363116 ] - # atom 2 - [ -0.04501885190273, -0.62703171849418 ] - [ -0.01693335545820, -0.28244579480842 ] - [ 0.04957636648015, 0.14927989071956 ] - # 4 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.57560183239413, 0.11648450592092 ] - [ -0.38600740756112, 0.07818127765573 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07496516662483, -0.58246556947227 ] - [ 0.10562345016656, 0.37941748840047 ] - # 5 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063763054359, -0.70529120930994 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.26176505067526, 0.29426703708182 ] - [ 0.53025888215523, 0.25241162308936 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.27476580680735, -0.28216607722885 ] - [ 0.21379037553668, -0.54697311739758 ] - q-position: [ 0.6666667, 0.8333333, 0.8333333 ] dynamical_matrix: - [ -0.6243470995, 0.0000000000, -0.3214519154, 0.0000000000, -0.0828205383, 0.0000000000, -0.0436081287, 0.0000000000, -0.7057509914, 0.0000000000, 0.0037407434, 0.0000000000 ] - [ 0.3208364974, 0.0005613348, -0.6296084107, 0.0002890093, 0.0250601252, -0.0053533864, -0.5680794942, 0.0142743962, 0.0372101860, -0.0015814398, 0.3978465781, -0.1319585356 ] - [ 0.0837728369, -0.0153725128, 0.0141090487, -0.0079147059, -0.6862876003, 0.1466059193, 0.4182515553, 0.0156850667, -0.0229247348, -0.0017377260, 0.5506962495, -0.1449993678 ] - [ -0.0000000000, -0.6243472542, -0.0000000000, -0.3214519951, -0.0000000000, -0.0828205588, 0.0000000000, 0.0436081179, 0.0000000000, 0.7057508165, -0.0000000000, -0.0037407425 ] - [ -0.0005613349, 0.3208365768, -0.0002890094, -0.6296085667, 0.0053533877, 0.0250601314, 0.0142743927, 0.5680793535, -0.0015814394, -0.0372101768, -0.1319585029, -0.3978464796 ] - [ 0.0153725166, 0.0837728577, 0.0079147079, 0.0141090522, -0.1466059556, -0.6862877704, 0.0156850628, -0.4182514517, -0.0017377255, 0.0229247291, -0.1449993319, -0.5506961131 ] band: - # 1 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.62434709949573, 0.00000000000000 ] - [ 0.32083649735942, 0.00056133477413 ] - [ 0.08377283693411, -0.01537251279267 ] - # atom 2 - [ -0.00000000000033, -0.62434725415793 ] - [ -0.00056133491301, 0.32083657683649 ] - [ 0.01537251660076, 0.08377285768616 ] - # 2 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.32145191542606, 0.00000000000000 ] - [ -0.62960841072790, 0.00028900933242 ] - [ 0.01410904866878, -0.00791470591616 ] - # atom 2 - [ -0.00000000000017, -0.32145199505558 ] - [ -0.00028900940434, -0.62960856669342 ] - [ 0.00791470787678, 0.01410905216384 ] - # 3 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.08282053828038, 0.00000000000000 ] - [ 0.02506012519618, -0.00535338637928 ] - [ -0.68628760034538, 0.14660591929191 ] - # atom 2 - [ -0.00000000000004, -0.08282055879655 ] - [ 0.00535338770543, 0.02506013140403 ] - [ -0.14660595560923, -0.68628777035129 ] - # 4 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ -0.04360812872672, 0.00000000000000 ] - [ -0.56807949418903, 0.01427439622452 ] - [ 0.41825155534231, 0.01568506666194 ] - # atom 2 - [ 0.00000000000002, 0.04360811792419 ] - [ 0.01427439268879, 0.56807935346537 ] - [ 0.01568506277624, -0.41825145173378 ] - # 5 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ -0.70575099136093, 0.00000000000000 ] - [ 0.03721018601536, -0.00158143983122 ] - [ -0.02292473479399, -0.00173772598047 ] - # atom 2 - [ 0.00000000000037, 0.70575081653354 ] - [ -0.00158143943949, -0.03721017679772 ] - [ -0.00173772554999, 0.02292472911511 ] - # 6 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.00374074339521, 0.00000000000000 ] - [ 0.39784657813309, -0.13195853563164 ] - [ 0.55069624947152, -0.14499936778390 ] - # atom 2 - [ -0.00000000000000, -0.00374074246856 ] - [ -0.13195850294332, -0.39784647957917 ] - [ -0.14499933186520, -0.55069611305394 ] - q-position: [ 0.8333333, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.5909518208, 0.0000000000, 0.3064336832, 0.0000000000, -0.2384832075, 0.0000000000, 0.0854499035, 0.0000000000, -0.0215174945, 0.0000000000, 0.7015949077, 0.0000000000 ] - [ -0.2690960556, -0.0001250174, 0.0101823412, 0.0070508759, -0.6537256576, 0.0087500776, 0.6653102346, -0.0589506062, 0.0583849916, -0.2102353358, -0.0792400230, 0.0007320263 ] - [ 0.0408785502, 0.2769333564, -0.0997362075, -0.6292833930, -0.0268584099, -0.1223539260, -0.1826999517, -0.1149185033, 0.5302827891, -0.4131943374, 0.0385151744, 0.0013239380 ] - [ 0.0113665632, -0.5908426183, 0.0058940470, -0.3063770571, -0.0045870651, 0.2384391381, -0.0016435711, 0.0854340780, 0.0004138745, -0.0215135094, -0.0134947035, 0.7014649703 ] - [ -0.0053008771, 0.2690439245, 0.0072454235, -0.0100448407, -0.0038255153, 0.6537731571, 0.0461428960, 0.6663208923, 0.2090734038, 0.0624179130, 0.0007922375, -0.0792394276 ] - [ 0.2776684532, -0.0355443683, -0.6310854666, 0.0876139318, -0.1228479197, 0.0245000507, 0.1184113301, -0.1804557355, 0.4029181819, 0.5381320927, -0.0020645061, 0.0384825763 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.59095182075631, 0.00000000000000 ] - [ -0.26909605558036, -0.00012501744513 ] - [ 0.04087855020195, 0.27693335635652 ] - # atom 2 - [ 0.01136656321162, -0.59084261834769 ] - [ -0.00530087707719, 0.26904392450126 ] - [ 0.27766845322918, -0.03554436825030 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.30643368320899, 0.00000000000000 ] - [ 0.01018234121594, 0.00705087588067 ] - [ -0.09973620748971, -0.62928339301955 ] - # atom 2 - [ 0.00589404704076, -0.30637705711002 ] - [ 0.00724542347052, -0.01004484072989 ] - [ -0.63108546656817, 0.08761393178593 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.23848320754876, 0.00000000000000 ] - [ -0.65372565759872, 0.00875007762847 ] - [ -0.02685840988337, -0.12235392603992 ] - # atom 2 - [ -0.00458706506741, 0.23843913806667 ] - [ -0.00382551530260, 0.65377315706162 ] - [ -0.12284791972946, 0.02450005072680 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.08544990352285, 0.00000000000000 ] - [ 0.66531023463942, -0.05895060617044 ] - [ -0.18269995171972, -0.11491850330889 ] - # atom 2 - [ -0.00164357109212, 0.08543407795587 ] - [ 0.04614289603158, 0.66632089231046 ] - [ 0.11841133005770, -0.18045573549003 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.02151749451727, 0.00000000000000 ] - [ 0.05838499162815, -0.21023533579585 ] - [ 0.53028278906542, -0.41319433738026 ] - # atom 2 - [ 0.00041387445164, -0.02151350941563 ] - [ 0.20907340378951, 0.06241791303185 ] - [ 0.40291818186435, 0.53813209274980 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70159490767441, 0.00000000000000 ] - [ -0.07924002300662, 0.00073202630027 ] - [ 0.03851517443872, 0.00132393796111 ] - # atom 2 - [ -0.01349470345894, 0.70146497028717 ] - [ 0.00079223751413, -0.07923942755802 ] - [ -0.00206450609094, 0.03848257626694 ] - q-position: [ 0.8333333, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.2564190376, 0.0000000000, -0.6393749640, 0.0000000000, -0.1595268276, 0.0000000000, 0.1245327657, 0.0000000000, 0.6956741479, 0.0000000000, -0.0230042175, 0.0000000000 ] - [ 0.6375864127, 0.0020467234, -0.1974975597, -0.0025536943, -0.2332792529, 0.0069452227, 0.6147944442, 0.1989955471, -0.1082473524, -0.0441032311, 0.0546494506, -0.2564752243 ] - [ -0.1568018967, -0.0560508323, 0.2174784633, 0.0699345556, -0.6196029517, -0.1901993789, -0.1382298873, 0.2186613271, 0.0051457701, -0.0484617429, -0.5926900531, -0.2818214464 ] - [ -0.0000000000, 0.2564191011, -0.0000000000, 0.6393751224, -0.0000000000, 0.1595268671, 0.0000000000, 0.1245327349, -0.0000000000, 0.6956739756, 0.0000000000, -0.0230042118 ] - [ 0.0020467239, -0.6375865706, -0.0025536949, 0.1974976087, 0.0069452245, 0.2332793107, -0.1989954978, 0.6147942920, 0.0441032201, -0.1082473256, 0.2564751608, 0.0546494371 ] - [ -0.0560508461, 0.1568019355, 0.0699345730, -0.2174785172, -0.1901994260, 0.6196031052, -0.2186612729, -0.1382298530, 0.0484617309, 0.0051457689, 0.2818213766, -0.5926899063 ] band: - # 1 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.25641903755954, 0.00000000000000 ] - [ 0.63758641268967, 0.00204672337510 ] - [ -0.15680189666704, -0.05605083225499 ] - # atom 2 - [ -0.00000000000000, 0.25641910107923 ] - [ 0.00204672388211, -0.63758657063148 ] - [ -0.05605084613980, 0.15680193550974 ] - # 2 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.63937496400730, 0.00000000000000 ] - [ -0.19749755972821, -0.00255369428014 ] - [ 0.21747846334257, 0.06993455562600 ] - # atom 2 - [ -0.00000000000000, 0.63937512239218 ] - [ -0.00255369491274, 0.19749760865197 ] - [ 0.06993457295007, -0.21747851721597 ] - # 3 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.15952682758260, 0.00000000000000 ] - [ -0.23327925292628, 0.00694522273933 ] - [ -0.61960295167263, -0.19019937890571 ] - # atom 2 - [ -0.00000000000000, 0.15952686710031 ] - [ 0.00694522445979, 0.23327931071382 ] - [ -0.19019942602158, 0.61960310515962 ] - # 4 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.12453276571202, 0.00000000000000 ] - [ 0.61479444424640, 0.19899554707569 ] - [ -0.13822988728995, 0.21866132705822 ] - # atom 2 - [ 0.00000000000000, 0.12453273486298 ] - [ -0.19899549778086, 0.61479429195061 ] - [ -0.21866127289183, -0.13822985304788 ] - # 5 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.69567414793075, 0.00000000000000 ] - [ -0.10824735238506, -0.04410323106513 ] - [ 0.00514577014356, -0.04846174285794 ] - # atom 2 - [ -0.00000000000000, 0.69567397559958 ] - [ 0.04410322013996, -0.10824732557022 ] - [ 0.04846173085309, 0.00514576886886 ] - # 6 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ -0.02300421752801, 0.00000000000000 ] - [ 0.05464945063309, -0.25647522430769 ] - [ -0.59269005310032, -0.28182144640324 ] - # atom 2 - [ 0.00000000000000, -0.02300421182944 ] - [ 0.25647516077410, 0.05464943709543 ] - [ 0.28182137659093, -0.59268990628019 ] - q-position: [ 0.8333333, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.2595025578, 0.0000000000, -0.6238017211, 0.0000000000, -0.2086376031, 0.0000000000, -0.1232051776, 0.0000000000, -0.6962553758, 0.0000000000, 0.0070086815, 0.0000000000 ] - [ -0.6494088765, -0.0341079519, -0.2142057256, -0.0302962343, -0.1672822334, 0.0481588273, -0.6570672521, -0.1806316009, 0.1166409934, 0.0333714278, 0.0367874077, 0.1398676155 ] - [ -0.0396076016, 0.0905220047, 0.0264924329, 0.2517288686, -0.1284730016, -0.6400486187, 0.1376682333, -0.0387682671, -0.0193267319, 0.0116765276, 0.5001080698, 0.4784628716 ] - [ -0.0671642292, -0.2506603157, 0.1614518258, 0.6025464168, 0.0539994053, 0.2015285241, -0.0318878346, -0.1190070187, -0.1802040846, -0.6725307993, 0.0018139796, 0.0067698639 ] - [ 0.1351336838, 0.6361088295, 0.0261766160, 0.2147481647, 0.0898137164, 0.1491178632, 0.0044152079, -0.6814288737, -0.0020454127, 0.1213036639, -0.1255804137, 0.0717342832 ] - [ 0.0976887801, 0.0148291920, 0.2362947570, -0.0907419842, -0.5849884487, 0.2897522702, 0.0730784039, 0.1229432905, -0.0162807798, -0.0156460759, -0.3327220279, 0.6069023786 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.25950255780328, 0.00000000000000 ] - [ -0.64940887650105, -0.03410795193893 ] - [ -0.03960760156851, 0.09052200472271 ] - # atom 2 - [ -0.06716422916875, -0.25066031571002 ] - [ 0.13513368384941, 0.63610882954873 ] - [ 0.09768878012482, 0.01482919195959 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.62380172111822, 0.00000000000000 ] - [ -0.21420572557735, -0.03029623426107 ] - [ 0.02649243285232, 0.25172886855164 ] - # atom 2 - [ 0.16145182578433, 0.60254641680442 ] - [ 0.02617661596376, 0.21474816469138 ] - [ 0.23629475698515, -0.09074198419398 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.20863760311794, 0.00000000000000 ] - [ -0.16728223341369, 0.04815882734329 ] - [ -0.12847300162961, -0.64004861874847 ] - # atom 2 - [ 0.05399940527621, 0.20152852407016 ] - [ 0.08981371638201, 0.14911786323626 ] - [ -0.58498844869531, 0.28975227024335 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.12320517758712, 0.00000000000000 ] - [ -0.65706725210540, -0.18063160085275 ] - [ 0.13766823329258, -0.03876826705638 ] - # atom 2 - [ -0.03188783456586, -0.11900701874364 ] - [ 0.00441520790968, -0.68142887366183 ] - [ 0.07307840391755, 0.12294329045420 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.69625537584173, 0.00000000000000 ] - [ 0.11664099340968, 0.03337142782925 ] - [ -0.01932673188224, 0.01167652756518 ] - # atom 2 - [ -0.18020408456237, -0.67253079932103 ] - [ -0.00204541270641, 0.12130366394919 ] - [ -0.01628077977771, -0.01564607593457 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00700868146761, 0.00000000000000 ] - [ 0.03678740771354, 0.13986761550654 ] - [ 0.50010806977813, 0.47846287158128 ] - # atom 2 - [ 0.00181397957083, 0.00676986392227 ] - [ -0.12558041368024, 0.07173428322393 ] - [ -0.33272202788137, 0.60690237856236 ] - q-position: [ 0.8333333, 0.0000000, 0.5000000 ] dynamical_matrix: - [ -0.2979184168, 0.0000000000, 0.6218186049, 0.0000000000, 0.1567993144, 0.0000000000, 0.2685002156, -0.0000000000, -0.0000000000, 0.0000000000, -0.6541466569, 0.0000000000 ] - [ -0.5815108819, -0.1161684598, -0.2238082713, 0.0013072519, -0.2173137964, -0.2259040311, -0.6429732827, 0.0720764338, 0.0806012709, -0.0660920226, -0.2639140064, 0.0295844025 ] - [ 0.2194566579, 0.1069259595, 0.1554680883, 0.1976846741, -0.1995721079, -0.5807984304, -0.0964271446, 0.0000000000, -0.5868486647, 0.3804525450, -0.0395793647, 0.0000000000 ] - [ 0.2580050279, 0.1489592723, -0.5385109394, -0.3109094358, -0.1357922478, -0.0783996908, 0.2325279079, 0.1342500502, 0.0000000000, 0.0000000000, -0.5665073796, -0.3270731881 ] - [ 0.4455191576, 0.3913604462, 0.1944773579, 0.1107720698, 0.0752472850, 0.3042956586, -0.5928691593, -0.2590665075, 0.1028487154, -0.0169367278, -0.2433483308, -0.1063361134 ] - [ -0.1365921197, -0.2023290131, -0.0357969923, -0.2489341007, -0.1175647503, 0.6027725078, -0.0835083210, -0.0482135516, -0.6984518246, 0.0360572211, -0.0342767206, -0.0197896739 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.29791841682434, 0.00000000000000 ] - [ -0.58151088191961, -0.11616845984106 ] - [ 0.21945665794064, 0.10692595952026 ] - # atom 2 - [ 0.25800502792497, 0.14895927232458 ] - [ 0.44551915755383, 0.39136044621776 ] - [ -0.13659211965249, -0.20232901305022 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.62181860488733, 0.00000000000000 ] - [ -0.22380827128134, 0.00130725192412 ] - [ 0.15546808833932, 0.19768467414611 ] - # atom 2 - [ -0.53851093943217, -0.31090943584235 ] - [ 0.19447735791139, 0.11077206979306 ] - [ -0.03579699226580, -0.24893410072682 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.15679931441988, 0.00000000000000 ] - [ -0.21731379644916, -0.22590403114652 ] - [ -0.19957210792783, -0.58079843042917 ] - # atom 2 - [ -0.13579224784674, -0.07839969084808 ] - [ 0.07524728503036, 0.30429565857599 ] - [ -0.11756475030435, 0.60277250781966 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.26850021559248, -0.00000000000000 ] - [ -0.64297328267212, 0.07207643377625 ] - [ -0.09642714462763, 0.00000000000000 ] - # atom 2 - [ 0.23252790785617, 0.13425005019470 ] - [ -0.59286915926012, -0.25906650751607 ] - [ -0.08350832103181, -0.04821355162723 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.08060127094922, -0.06609202262670 ] - [ -0.58684866466058, 0.38045254498147 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10284871540434, -0.01693672784078 ] - [ -0.69845182458552, 0.03605722108774 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65414665691808, 0.00000000000000 ] - [ -0.26391400642637, 0.02958440252410 ] - [ -0.03957936473063, 0.00000000000000 ] - # atom 2 - [ -0.56650737962583, -0.32707318812449 ] - [ -0.24334833083067, -0.10633611344675 ] - [ -0.03427672061560, -0.01978967387433 ] - q-position: [ 0.8333333, 0.0000000, 0.6666667 ] dynamical_matrix: - [ -0.1553579914, 0.0000000000, 0.5817602482, 0.0000000000, -0.3707003745, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071068805, 0.0000000000 ] - [ 0.6892802970, 0.0195181350, 0.1415880459, 0.0035589589, -0.0666708410, -0.0025946492, 0.2864756286, 0.0745133285, -0.6421660080, -0.0015610080, -0.0000000000, -0.0000000000 ] - [ -0.0193364467, -0.0012532001, 0.3760662391, 0.0083196208, 0.5982849636, 0.0135816407, -0.6415259587, 0.0287064943, -0.2830695646, 0.0865571689, 0.0000000000, -0.0000000000 ] - [ 0.1549591585, 0.0111255670, -0.5802667614, -0.0416612790, 0.3697487177, 0.0265467635, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.7052912093, 0.0506376305 ] - [ -0.6861130446, -0.0688290819, -0.1409696973, -0.0136892898, 0.0663138753, 0.0073624508, 0.2804039525, 0.0948372084, -0.6404053009, -0.0475440576, 0.0000000000, 0.0000000000 ] - [ 0.0191970617, 0.0026347133, -0.3745050186, -0.0352292890, -0.5957764401, -0.0563914286, -0.6419344241, -0.0173084391, -0.2885412816, 0.0660636173, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.15535799141775, 0.00000000000000 ] - [ 0.68928029696654, 0.01951813496255 ] - [ -0.01933644668458, -0.00125320010715 ] - # atom 2 - [ 0.15495915853795, 0.01112556702216 ] - [ -0.68611304460952, -0.06882908187341 ] - [ 0.01919706169188, 0.00263471330897 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.58176024818733, 0.00000000000000 ] - [ 0.14158804591647, 0.00355895889202 ] - [ 0.37606623906046, 0.00831962078726 ] - # atom 2 - [ -0.58026676135077, -0.04166127904313 ] - [ -0.14096969726956, -0.01368928981477 ] - [ -0.37450501856853, -0.03522928903779 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ -0.37070037454609, 0.00000000000000 ] - [ -0.06667084099412, -0.00259464921467 ] - [ 0.59828496359177, 0.01358164072986 ] - # atom 2 - [ 0.36974871768845, 0.02654676353958 ] - [ 0.06631387533859, 0.00736245080457 ] - [ -0.59577644011240, -0.05639142859601 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.28647562863491, 0.07451332845857 ] - [ -0.64152595871728, 0.02870649430345 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.28040395254249, 0.09483720839168 ] - [ -0.64193442406127, -0.01730843912938 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64216600795858, -0.00156100795934 ] - [ -0.28306956464065, 0.08655716893414 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64040530092097, -0.04754405759171 ] - [ -0.28854128157095, 0.06606361726681 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.70529120930997, 0.05063763054311 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.0000000, 0.8333333 ] dynamical_matrix: - [ -0.1163123553, 0.0000000000, 0.1398304852, 0.0000000000, -0.6833145426, 0.0000000000, -0.0151197582, 0.0000000000, 0.0413892130, 0.0000000000, 0.7057325508, 0.0000000000 ] - [ 0.6036413748, 0.0000000000, -0.3268635360, 0.0000000000, -0.1696384749, 0.0000000000, -0.6552142877, 0.0000000000, 0.2642386610, 0.0000000000, -0.0295342928, 0.0000000000 ] - [ 0.3494115330, 0.0000000000, 0.6112344533, 0.0000000000, 0.0656042409, 0.0000000000, -0.2654538327, 0.0000000000, -0.6545723569, 0.0000000000, 0.0327016756, 0.0000000000 ] - [ 0.1163123802, 0.0000000000, -0.1398305152, 0.0000000000, 0.6833146892, 0.0000000000, -0.0151197549, 0.0000000000, 0.0413892041, 0.0000000000, 0.7057323994, 0.0000000000 ] - [ -0.6036415043, 0.0000000000, 0.3268636062, 0.0000000000, 0.1696385113, 0.0000000000, -0.6552141472, 0.0000000000, 0.2642386043, 0.0000000000, -0.0295342865, 0.0000000000 ] - [ -0.3494116079, 0.0000000000, -0.6112345845, 0.0000000000, -0.0656042549, 0.0000000000, -0.2654537758, 0.0000000000, -0.6545722164, 0.0000000000, 0.0327016686, 0.0000000000 ] band: - # 1 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.11631235526713, 0.00000000000000 ] - [ 0.60364137480156, 0.00000000000000 ] - [ 0.34941153297328, 0.00000000000000 ] - # atom 2 - [ 0.11631238021966, 0.00000000000000 ] - [ -0.60364150430095, 0.00000000000000 ] - [ -0.34941160793265, 0.00000000000000 ] - # 2 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.13983048522845, 0.00000000000000 ] - [ -0.32686353604369, 0.00000000000000 ] - [ 0.61123445333246, 0.00000000000000 ] - # atom 2 - [ -0.13983051522634, 0.00000000000000 ] - [ 0.32686360616583, 0.00000000000000 ] - [ -0.61123458446079, 0.00000000000000 ] - # 3 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.68331454261404, 0.00000000000000 ] - [ -0.16963847490337, 0.00000000000000 ] - [ 0.06560424086500, 0.00000000000000 ] - # atom 2 - [ 0.68331468920573, 0.00000000000000 ] - [ 0.16963851129596, 0.00000000000000 ] - [ -0.06560425493910, 0.00000000000000 ] - # 4 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ -0.01511975817513, 0.00000000000000 ] - [ -0.65521428773971, 0.00000000000000 ] - [ -0.26545383274616, 0.00000000000000 ] - # atom 2 - [ -0.01511975493148, 0.00000000000000 ] - [ -0.65521414717640, 0.00000000000000 ] - [ -0.26545377579827, 0.00000000000000 ] - # 5 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.04138921298911, 0.00000000000000 ] - [ 0.26423866097698, 0.00000000000000 ] - [ -0.65457235685476, 0.00000000000000 ] - # atom 2 - [ 0.04138920410987, 0.00000000000000 ] - [ 0.26423860428978, 0.00000000000000 ] - [ -0.65457221642916, 0.00000000000000 ] - # 6 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.70573255077687, 0.00000000000000 ] - [ -0.02953429281348, 0.00000000000000 ] - [ 0.03270167560141, 0.00000000000000 ] - # atom 2 - [ 0.70573239937586, 0.00000000000000 ] - [ -0.02953428647748, 0.00000000000000 ] - [ 0.03270166858591, 0.00000000000000 ] - q-position: [ 0.8333333, 0.1666667, 0.0000000 ] dynamical_matrix: - [ 0.6669829952, 0.0000000000, -0.2278663489, 0.0000000000, 0.0566611616, 0.0000000000, -0.0867582349, 0.0000000000, 0.6989561699, 0.0000000000, -0.0627168647, 0.0000000000 ] - [ -0.2306468089, 0.0005346926, -0.6038852516, 0.0031855920, 0.2864814548, 0.0065169572, -0.6042548692, 0.2343352440, -0.0548560575, 0.0431814823, 0.2245345995, 0.1570781860 ] - [ 0.0414838444, -0.0146428991, 0.2752790060, -0.0872394803, 0.6187272238, -0.1784710530, -0.0783153119, 0.2574934775, -0.0658420130, 0.0474489021, -0.6254487247, 0.1726014733 ] - [ 0.0000000000, -0.6669831605, -0.0000000000, 0.2278664053, -0.0000000000, -0.0566611757, 0.0000000000, -0.0867582135, 0.0000000000, 0.6989559967, 0.0000000000, -0.0627168491 ] - [ 0.0005346927, 0.2306468660, 0.0031855928, 0.6038854012, 0.0065169588, -0.2864815258, -0.2343351859, -0.6042547195, -0.0431814716, -0.0548560439, -0.1570781471, 0.2245345439 ] - [ -0.0146429027, -0.0414838547, -0.0872395019, -0.2752790742, -0.1784710972, -0.6187273771, -0.2574934137, -0.0783152925, -0.0474488903, -0.0658419967, -0.1726014306, -0.6254485698 ] band: - # 1 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.66698299524403, 0.00000000000000 ] - [ -0.23064680890758, 0.00053469257448 ] - [ 0.04148384441769, -0.01464289906730 ] - # atom 2 - [ 0.00000000000000, -0.66698316046793 ] - [ 0.00053469270693, 0.23064686604301 ] - [ -0.01464290269462, -0.04148385469400 ] - # 2 frequency: 455.6935390459 eigenvector: - # atom 1 - [ -0.22786634889576, 0.00000000000000 ] - [ -0.60388525159345, 0.00318559201355 ] - [ 0.27527900604347, -0.08723948031101 ] - # atom 2 - [ -0.00000000000000, 0.22786640534242 ] - [ 0.00318559280267, 0.60388540118688 ] - [ -0.08723950192183, -0.27527907423512 ] - # 3 frequency: 455.6935390459 eigenvector: - # atom 1 - [ 0.05666116162840, 0.00000000000000 ] - [ 0.28648145483697, 0.00651695721943 ] - [ 0.61872722378603, -0.17847105298314 ] - # atom 2 - [ -0.00000000000000, -0.05666117566441 ] - [ 0.00651695883380, -0.28648152580366 ] - [ -0.17847109719369, -0.61872737705609 ] - # 4 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ -0.08675823494429, 0.00000000000000 ] - [ -0.60425486917334, 0.23433524398604 ] - [ -0.07831531186219, 0.25749347751491 ] - # atom 2 - [ 0.00000000000000, -0.08675821345269 ] - [ -0.23433518593693, -0.60425471948839 ] - [ -0.25749341372908, -0.07831529246206 ] - # 5 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ 0.69895616987993, 0.00000000000000 ] - [ -0.05485605745323, 0.04318148231955 ] - [ -0.06584201304879, 0.04744890208393 ] - # atom 2 - [ 0.00000000000000, 0.69895599673574 ] - [ -0.04318147162270, -0.05485604386438 ] - [ -0.04744889032998, -0.06584199673852 ] - # 6 frequency: 1205.6517783719 eigenvector: - # atom 1 - [ -0.06271686467980, 0.00000000000000 ] - [ 0.22453459951553, 0.15707818604510 ] - [ -0.62544872470521, 0.17260147333576 ] - # atom 2 - [ 0.00000000000000, -0.06271684914369 ] - [ -0.15707814713397, 0.22453454389422 ] - [ -0.17260143057923, -0.62544856977016 ] - q-position: [ 0.8333333, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071066819, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071068805, 0.0000000000 ] - [ -0.6710996487, 0.1675387482, -0.0217073767, 0.1452056428, 0.0000000000, 0.0000000000, 0.6996750861, 0.0592259533, 0.0717737704, -0.0423760160, 0.0000000000, 0.0000000000 ] - [ -0.0922603949, 0.1142099314, -0.3305640520, -0.6075947483, 0.0000000000, 0.0000000000, 0.0743741584, 0.0376255952, -0.6943520808, 0.1045376843, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, -0.0506376448, 0.7052914074, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0506376305, -0.7052912093 ] - [ 0.1190495523, 0.6813746719, 0.1432783544, 0.0320501823, -0.0000000000, 0.0000000000, -0.1091792979, 0.6936371844, 0.0371273122, 0.0746241224, 0.0000000000, -0.0000000000 ] - [ 0.1073097400, 0.1002023988, -0.6297074425, 0.2862040816, -0.0000000000, 0.0000000000, -0.0428550952, 0.0714887247, -0.0545450295, -0.7000553566, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67109964869903, 0.16753874823962 ] - [ -0.09226039494708, 0.11420993142231 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.11904955233178, 0.68137467190370 ] - [ 0.10730973997699, 0.10020239880787 ] - # 2 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02170737673551, 0.14520564281922 ] - [ -0.33056405204733, -0.60759474828188 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.14327835438875, 0.03205018228394 ] - [ -0.62970744246427, 0.28620408160503 ] - # 3 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.70710668187830, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063764476731, 0.70529140741645 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69967508605830, 0.05922595327716 ] - [ 0.07437415839777, 0.03762559518999 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.10917929785092, 0.69363718436203 ] - [ -0.04285509521038, 0.07148872472316 ] - # 5 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07177377041849, -0.04237601598418 ] - [ -0.69435208082916, 0.10453768430808 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03712731217048, 0.07462412236690 ] - [ -0.05454502948790, -0.70005535664480 ] - # 6 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.70710688049478, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.05063763054390, -0.70529120930992 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.8333333, 0.1666667, 0.3333333 ] dynamical_matrix: - [ 0.4559292803, 0.0000000000, -0.3597363686, 0.0000000000, 0.4033832197, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000 ] - [ -0.5399640997, 0.0018558259, -0.2887597576, 0.0192058530, 0.3527862583, 0.0150301702, 0.6909737063, -0.0361556076, -0.1412129450, -0.0361556076, -0.0000000000, -0.0000000000 ] - [ 0.0052411136, -0.0231545797, 0.4789760195, -0.2396256266, 0.4212260413, -0.1875268930, 0.1352920150, -0.0542622749, 0.6897880082, -0.0542622749, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.4559294759, -0.0000000000, 0.3597365230, 0.0000000000, -0.4033833928, -0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.7071066295 ] - [ 0.0018558267, 0.5399643313, 0.0192058613, 0.2887598815, 0.0150301766, -0.3527864097, 0.0361555921, 0.6909734098, 0.0361555921, -0.1412128844, -0.0000000000, 0.0000000000 ] - [ -0.0231545896, -0.0052411159, -0.2396257294, -0.4789762250, -0.1875269735, -0.4212262220, 0.0542622516, 0.1352919570, 0.0542622516, 0.6897877122, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.45592928028427, 0.00000000000000 ] - [ -0.53996409966382, 0.00185582594442 ] - [ 0.00524111361128, -0.02315457971059 ] - # atom 2 - [ 0.00000000000072, -0.45592947590561 ] - [ 0.00185582673983, 0.53996433134120 ] - [ -0.02315458964530, -0.00524111586007 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.35973636863203, 0.00000000000000 ] - [ -0.28875975756904, 0.01920585302929 ] - [ 0.47897601948672, -0.23962562660925 ] - # atom 2 - [ -0.00000000000057, 0.35973652298077 ] - [ 0.01920586126931, 0.28875988146454 ] - [ -0.23962572942244, -0.47897622499689 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.40338321969636, 0.00000000000000 ] - [ 0.35278625831595, 0.01503017017572 ] - [ 0.42122604128947, -0.18752689301700 ] - # atom 2 - [ 0.00000000000063, -0.40338339277225 ] - [ 0.01503017662513, -0.35278640968265 ] - [ -0.18752697347676, -0.42122622202131 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69097370627449, -0.03615560759576 ] - [ 0.13529201502646, -0.05426227489763 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03615559208173, 0.69097340980500 ] - [ 0.05426225161562, 0.13529195697808 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.14121294503840, -0.03615560759506 ] - [ 0.68978800819256, -0.05426227489763 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.03615559208234, -0.14121288444944 ] - [ 0.05426225161475, 0.68978771223184 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710662949069 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0614392691, 0.0000000000, 0.4724955207, 0.0000000000, -0.5224680158, 0.0000000000, -0.0117916520, 0.0000000000, 0.1527402451, 0.0000000000, 0.6903127886, 0.0000000000 ] - [ 0.2150615255, -0.1062041544, 0.4800099279, 0.0289016566, 0.4593884344, 0.0136482951, -0.6961685784, 0.0174057336, 0.1001112741, 0.0607674657, -0.0340425363, -0.0131482357 ] - [ 0.1119517200, -0.6528099837, -0.1180789251, 0.1776517439, -0.0936201449, 0.0838931450, 0.0470440741, -0.1126700249, 0.5551797658, -0.3933589514, -0.1220368035, 0.0851109495 ] - [ -0.0434441561, -0.0434441561, -0.3341050351, -0.3341050351, 0.3694409515, 0.3694409515, -0.0083379509, -0.0083379509, 0.1080035828, 0.1080035828, 0.4881244912, 0.4881244912 ] - [ -0.2271693097, -0.0769738425, -0.3189819548, -0.3598550999, -0.3151861094, -0.3344877277, -0.5045728599, -0.4799574537, 0.0278202530, 0.1137583633, -0.0147744907, -0.0333688901 ] - [ -0.5407685886, 0.3824448302, 0.2091133168, -0.0421243755, 0.1255209443, 0.0068780327, 0.1129348385, -0.0464045204, 0.6707176607, 0.1144245102, -0.1464754720, -0.0261105023 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.06143926906416, 0.00000000000000 ] - [ 0.21506152550116, -0.10620415444700 ] - [ 0.11195171996780, -0.65280998373418 ] - # atom 2 - [ -0.04344415607213, -0.04344415607213 ] - [ -0.22716930967575, -0.07697384245799 ] - [ -0.54076858855407, 0.38244483018560 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.47249552071773, 0.00000000000000 ] - [ 0.48000992793961, 0.02890165655786 ] - [ -0.11807892507139, 0.17765174388643 ] - # atom 2 - [ -0.33410503507144, -0.33410503507144 ] - [ -0.31898195479626, -0.35985509985050 ] - [ 0.20911331682841, -0.04212437546343 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.52246801580685, 0.00000000000000 ] - [ 0.45938843435510, 0.01364829506951 ] - [ -0.09362014489358, 0.08389314497640 ] - # atom 2 - [ 0.36944095148181, 0.36944095148181 ] - [ -0.31518610936786, -0.33448772770251 ] - [ 0.12552094429925, 0.00687803271348 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ -0.01179165204855, 0.00000000000000 ] - [ -0.69616857839967, 0.01740573360742 ] - [ 0.04704407405092, -0.11267002486300 ] - # atom 2 - [ -0.00833795092853, -0.00833795092853 ] - [ -0.50457285992486, -0.47995745368726 ] - [ 0.11293483846503, -0.04640452035528 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.15274024509024, 0.00000000000000 ] - [ 0.10011127406195, 0.06076746570489 ] - [ 0.55517976582089, -0.39335895140155 ] - # atom 2 - [ 0.10800358279999, 0.10800358279999 ] - [ 0.02782025301222, 0.11375836329778 ] - [ 0.67071766071875, 0.11442451017789 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.69031278855975, 0.00000000000000 ] - [ -0.03404253632498, -0.01314823570032 ] - [ -0.12203680352530, 0.08511094954304 ] - # atom 2 - [ 0.48812449117820, 0.48812449117820 ] - [ -0.01477449068011, -0.03336889011026 ] - [ -0.14647547204820, -0.02611050234781 ] - q-position: [ 0.8333333, 0.1666667, 0.6666667 ] dynamical_matrix: - [ -0.3508574911, 0.0000000000, 0.6139208470, 0.0000000000, 0.0000000000, 0.0000000000, 0.0630561934, 0.0000000000, 0.7034056250, 0.0000000000, -0.0352797065, 0.0000000000 ] - [ 0.5927962337, -0.0000000000, 0.3387847151, -0.0000000000, -0.1838948819, 0.0000000000, 0.4626858411, -0.0000000000, -0.0146681456, 0.0000000000, 0.5345155493, -0.0000000000 ] - [ -0.1596603638, -0.0000000000, -0.0912463470, -0.0000000000, -0.6827755545, -0.0000000000, -0.5309858223, -0.0000000000, 0.0707501712, 0.0000000000, 0.4615719709, 0.0000000000 ] - [ 0.3508576416, -0.0000000000, -0.6139211104, 0.0000000000, -0.0000000000, 0.0000000000, 0.0630561663, -0.0000000000, 0.7034053232, -0.0000000000, -0.0352796914, 0.0000000000 ] - [ -0.5927964880, 0.0000000000, -0.3387848605, 0.0000000000, 0.1838949608, -0.0000000000, 0.4626856426, -0.0000000000, -0.0146681393, 0.0000000000, 0.5345153200, -0.0000000000 ] - [ 0.1596604323, 0.0000000000, 0.0912463862, 0.0000000000, 0.6827758475, 0.0000000000, -0.5309855945, 0.0000000000, 0.0707501408, -0.0000000000, 0.4615717729, -0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.35085749108399, 0.00000000000000 ] - [ 0.59279623367913, -0.00000000000072 ] - [ -0.15966036375938, -0.00000000000040 ] - # atom 2 - [ 0.35085764162316, -0.00000000000055 ] - [ -0.59279648802470, 0.00000000000165 ] - [ 0.15966043226337, 0.00000000000015 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.61392084703155, 0.00000000000000 ] - [ 0.33878471512796, -0.00000000000041 ] - [ -0.09124634702508, -0.00000000000023 ] - # atom 2 - [ -0.61392111044087, 0.00000000000096 ] - [ -0.33878486048717, 0.00000000000094 ] - [ 0.09124638617530, 0.00000000000008 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.18389488193312, 0.00000000000034 ] - [ -0.68277555453347, -0.00000000000129 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.18389496083519, -0.00000000000062 ] - [ 0.68277584748564, 0.00000000000021 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.06305619336466, 0.00000000000000 ] - [ 0.46268584108958, -0.00000000000071 ] - [ -0.53098582228144, -0.00000000000001 ] - # atom 2 - [ 0.06305616630974, -0.00000000000010 ] - [ 0.46268564256935, -0.00000000000143 ] - [ -0.53098559445638, 0.00000000000082 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70340562502393, 0.00000000000000 ] - [ -0.01466814562654, 0.00000000000002 ] - [ 0.07075017115795, 0.00000000000000 ] - # atom 2 - [ 0.70340532322034, -0.00000000000111 ] - [ -0.01466813933302, 0.00000000000005 ] - [ 0.07075014080185, -0.00000000000011 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.03527970653732, 0.00000000000000 ] - [ 0.53451554934297, -0.00000000000077 ] - [ 0.46157197092927, 0.00000000000005 ] - # atom 2 - [ -0.03527969140019, 0.00000000000006 ] - [ 0.53451532000345, -0.00000000000161 ] - [ 0.46157177288696, -0.00000000000067 ] - q-position: [ 0.8333333, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071066819, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071068805, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1431675757, -0.0770351040, 0.0000000000, 0.0000000000, 0.6613382715, 0.1902634704, -0.3925495740, 0.0423545398, 0.0000000000, 0.0000000000, -0.5830425536, 0.0645944741 ] - [ 0.6701985081, 0.1562128589, 0.0000000000, 0.0000000000, 0.1625577637, 0.0025170308, 0.5866058794, 0.0021465453, -0.0000000000, 0.0000000000, -0.3948277790, -0.0003161944 ] - [ -0.0000000000, -0.0000000000, 0.7052914074, -0.0506376448, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7052912093, 0.0506376305, -0.0000000000, 0.0000000000 ] - [ 0.1483167107, 0.0665847591, 0.0000000000, -0.0000000000, -0.6732657271, -0.1424149721, -0.3885084954, 0.0703572066, -0.0000000000, 0.0000000000, -0.5769196819, 0.1061816965 ] - [ -0.6796647700, -0.1078172715, 0.0000000000, -0.0000000000, -0.1623206984, 0.0091305913, 0.5852533435, -0.0398672294, -0.0000000000, 0.0000000000, -0.3938366049, 0.0279591878 ] band: - # 1 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14316757568237, -0.07703510398237 ] - [ 0.67019850813871, 0.15621285886013 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.14831671071317, 0.06658475909679 ] - [ -0.67966477000611, -0.10781727150532 ] - # 2 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.70710668187830, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70529140741645, -0.05063764476731 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.66133827154162, 0.19026347042704 ] - [ 0.16255776366682, 0.00251703078721 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67326572714182, -0.14241497210092 ] - [ -0.16232069838320, 0.00913059128102 ] - # 4 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.39254957399729, 0.04235453978116 ] - [ 0.58660587936083, 0.00214654532621 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.38850849539057, 0.07035720660143 ] - [ 0.58525334348650, -0.03986722944242 ] - # 5 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.70710688049478, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70529120930992, 0.05063763054390 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58304255357341, 0.06459447406807 ] - [ -0.39482777904632, -0.00031619436786 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.57691968191633, 0.10618169645994 ] - [ -0.39383660485872, 0.02795918784145 ] - q-position: [ 0.8333333, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.2595025578, 0.0000000000, -0.6238017211, 0.0000000000, -0.2086376031, 0.0000000000, -0.1232051776, 0.0000000000, -0.6962553758, 0.0000000000, 0.0070086815, 0.0000000000 ] - [ -0.6494088765, -0.0341079519, -0.2142057256, -0.0302962343, -0.1672822334, 0.0481588273, -0.6570672521, -0.1806316009, 0.1166409934, 0.0333714278, 0.0367874077, 0.1398676155 ] - [ -0.0396076016, 0.0905220047, 0.0264924329, 0.2517288686, -0.1284730016, -0.6400486187, 0.1376682333, -0.0387682671, -0.0193267319, 0.0116765276, 0.5001080698, 0.4784628716 ] - [ -0.0671642292, -0.2506603157, 0.1614518258, 0.6025464168, 0.0539994053, 0.2015285241, -0.0318878346, -0.1190070187, -0.1802040846, -0.6725307993, 0.0018139796, 0.0067698639 ] - [ 0.1351336838, 0.6361088295, 0.0261766160, 0.2147481647, 0.0898137164, 0.1491178632, 0.0044152079, -0.6814288737, -0.0020454127, 0.1213036639, -0.1255804137, 0.0717342832 ] - [ 0.0976887801, 0.0148291920, 0.2362947570, -0.0907419842, -0.5849884487, 0.2897522702, 0.0730784039, 0.1229432905, -0.0162807798, -0.0156460759, -0.3327220279, 0.6069023786 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.25950255780328, 0.00000000000000 ] - [ -0.64940887650105, -0.03410795193893 ] - [ -0.03960760156851, 0.09052200472271 ] - # atom 2 - [ -0.06716422916875, -0.25066031571002 ] - [ 0.13513368384941, 0.63610882954873 ] - [ 0.09768878012482, 0.01482919195959 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.62380172111822, 0.00000000000000 ] - [ -0.21420572557735, -0.03029623426107 ] - [ 0.02649243285232, 0.25172886855164 ] - # atom 2 - [ 0.16145182578433, 0.60254641680442 ] - [ 0.02617661596376, 0.21474816469138 ] - [ 0.23629475698515, -0.09074198419398 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.20863760311794, 0.00000000000000 ] - [ -0.16728223341369, 0.04815882734329 ] - [ -0.12847300162961, -0.64004861874847 ] - # atom 2 - [ 0.05399940527621, 0.20152852407016 ] - [ 0.08981371638201, 0.14911786323626 ] - [ -0.58498844869531, 0.28975227024335 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.12320517758712, 0.00000000000000 ] - [ -0.65706725210540, -0.18063160085275 ] - [ 0.13766823329258, -0.03876826705638 ] - # atom 2 - [ -0.03188783456586, -0.11900701874364 ] - [ 0.00441520790968, -0.68142887366183 ] - [ 0.07307840391755, 0.12294329045420 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.69625537584173, 0.00000000000000 ] - [ 0.11664099340968, 0.03337142782925 ] - [ -0.01932673188224, 0.01167652756518 ] - # atom 2 - [ -0.18020408456237, -0.67253079932103 ] - [ -0.00204541270641, 0.12130366394919 ] - [ -0.01628077977771, -0.01564607593457 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00700868146761, 0.00000000000000 ] - [ 0.03678740771354, 0.13986761550654 ] - [ 0.50010806977813, 0.47846287158128 ] - # atom 2 - [ 0.00181397957083, 0.00676986392227 ] - [ -0.12558041368024, 0.07173428322393 ] - [ -0.33272202788137, 0.60690237856236 ] - q-position: [ 0.8333333, 0.3333333, 0.1666667 ] dynamical_matrix: - [ 0.4224069257, 0.0000000000, -0.5587384007, 0.0000000000, 0.0968688507, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5641627174, 0.0004351438, -0.4018504181, 0.0008254599, 0.1422230060, 0.0028637524, 0.6565855655, -0.0012746750, -0.0000000000, -0.0000000000, 0.2624067908, -0.0060548370 ] - [ 0.0571221305, -0.0054291578, 0.1619279948, -0.0102990143, 0.6849116595, -0.0357301742, -0.2624696654, -0.0019130300, 0.0000000000, -0.0000000000, 0.6565239176, -0.0090870892 ] - [ 0.0000000000, -0.4224071069, -0.0000000000, 0.5587386404, 0.0000000000, -0.0968688923, -0.0000000000, -0.0000000000, -0.0000000000, 0.7071066295, -0.0000000000, -0.0000000000 ] - [ 0.0004351440, 0.5641629595, 0.0008254603, 0.4018505905, 0.0028637537, -0.1422230670, 0.0012746744, 0.6565852838, -0.0000000000, 0.0000000000, 0.0060548344, 0.2624066782 ] - [ -0.0054291602, -0.0571221551, -0.0102990187, -0.1619280643, -0.0357301895, -0.6849119534, 0.0019130292, -0.2624695528, -0.0000000000, 0.0000000000, 0.0090870853, 0.6565236359 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.42240692567313, 0.00000000000000 ] - [ -0.56416271740523, 0.00043514380599 ] - [ 0.05712213054672, -0.00542915782444 ] - # atom 2 - [ 0.00000000000066, -0.42240710691134 ] - [ 0.00043514399181, 0.56416295946529 ] - [ -0.00542916015379, -0.05712215505559 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.55873840066327, 0.00000000000000 ] - [ -0.40185041807694, 0.00082545993762 ] - [ 0.16192799481817, -0.01029901429230 ] - # atom 2 - [ -0.00000000000088, 0.55873864039597 ] - [ 0.00082546029116, 0.40185059049516 ] - [ -0.01029901871094, -0.16192806429513 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.09686885070712, 0.00000000000000 ] - [ 0.14222300601071, 0.00286375244486 ] - [ 0.68491165953617, -0.03573017418090 ] - # atom 2 - [ 0.00000000000015, -0.09686889226974 ] - [ 0.00286375367381, -0.14222306703301 ] - [ -0.03573018951024, -0.68491195340491 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65658556548869, -0.00127467496023 ] - [ -0.26246966537499, -0.00191303002957 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00127467441229, 0.65658528377374 ] - [ 0.00191302920918, -0.26246955275962 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710662949069 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.26240679083134, -0.00605483703768 ] - [ 0.65652391762523, -0.00908708921354 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00605483443938, 0.26240667824295 ] - [ 0.00908708531360, 0.65652363593675 ] - q-position: [ 0.8333333, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.0279875524, 0.0000000000, 0.7063498694, 0.0000000000, -0.0169170724, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.5797780442, 0.0570938452, -0.0133811492, 0.0024050164, 0.4004709121, 0.0059623807, -0.5886723597, 0.2140105757, -0.0000000000, 0.0000000000, 0.3053142334, 0.1201994876 ] - [ -0.3808426972, -0.1215437272, -0.0278157779, -0.0105325054, -0.5313458464, -0.2386891936, -0.1840931379, 0.2716144593, 0.0000000000, 0.0000000000, -0.6066780528, 0.1558121109 ] - [ -0.0072437170, 0.0270339197, 0.1828169346, -0.6822820883, -0.0043784638, 0.0163406492, 0.0000000000, 0.0000000000, -0.1830126339, 0.6830124481, 0.0000000000, 0.0000000000 ] - [ -0.0949092507, 0.5747999881, -0.0011402297, 0.0135476717, 0.1094087979, -0.3852823053, -0.0543586837, -0.6240033846, -0.0000000000, 0.0000000000, -0.1951247827, 0.2638007906 ] - [ -0.2159717288, 0.3364082156, -0.0173728849, 0.0241419832, -0.3680787547, 0.4514637021, -0.2147124513, -0.2481191270, -0.0000000000, 0.0000000000, 0.0065168874, -0.6263326757 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.02798755236059, 0.00000000000000 ] - [ -0.57977804422640, 0.05709384523194 ] - [ -0.38084269717432, -0.12154372716886 ] - # atom 2 - [ -0.00724371695994, 0.02703391973009 ] - [ -0.09490925067894, 0.57479998810296 ] - [ -0.21597172881330, 0.33640821555339 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.70634986939796, 0.00000000000000 ] - [ -0.01338114917951, 0.00240501638422 ] - [ -0.02781577785568, -0.01053250536176 ] - # atom 2 - [ 0.18281693456746, -0.68228208828832 ] - [ -0.00114022966222, 0.01354767168995 ] - [ -0.01737288491859, 0.02414198317007 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.01691707235156, 0.00000000000000 ] - [ 0.40047091211628, 0.00596238071818 ] - [ -0.53134584639991, -0.23868919364760 ] - # atom 2 - [ -0.00437846376585, 0.01634064923320 ] - [ 0.10940879789497, -0.38528230533087 ] - [ -0.36807875472437, 0.45146370206004 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.58867235974827, 0.21401057566965 ] - [ -0.18409313793853, 0.27161445931925 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05435868371275, -0.62400338460880 ] - [ -0.21471245131405, -0.24811912698359 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301263388918, 0.68301244809999 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.30531423342643, 0.12019948758033 ] - [ -0.60667805276895, 0.15581211094949 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.19512478270436, 0.26380079055788 ] - [ 0.00651688744486, -0.62633267572133 ] - q-position: [ 0.8333333, 0.3333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000004, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000001, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000 ] - [ -0.0000000001, -0.0000000001, 0.0000000000, 0.0000000001, -0.0000000003, 0.0000000000, 0.9266275213, -0.0396456347, -0.3444234384, 0.1454721815, 0.0000000001, 0.0000000000 ] - [ 0.0000000000, 0.0000000001, -0.0000000004, -0.0000000001, -0.0000000002, -0.0000000000, 0.3700366023, 0.0535030228, 0.9064596459, -0.1963192549, 0.0000000001, 0.0000000000 ] - [ 0.7887484955, 0.5915613716, -0.1197967119, -0.0898475339, -0.0593679941, -0.0445259956, 0.0000000001, -0.0000000000, -0.0000000002, 0.0000000001, -0.0000000003, -0.0000000002 ] - [ -0.0578019314, -0.0385663608, 0.0073964572, 0.0514049185, -0.7828672400, -0.6161114217, -0.0000000002, -0.0000000002, -0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000 ] - [ -0.1180793528, -0.0957068102, -0.7557924016, -0.6353399412, -0.0436846036, 0.0104944314, -0.0000000001, -0.0000000001, -0.0000000003, -0.0000000001, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000036823, 0.00000000000000 ] - [ -0.00000000012408, -0.00000000008194 ] - [ 0.00000000002149, 0.00000000009244 ] - # atom 2 - [ 0.78874849546522, 0.59156137159529 ] - [ -0.05780193142155, -0.03856636077584 ] - [ -0.11807935280946, -0.09570681019761 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000005593, 0.00000000000000 ] - [ 0.00000000001382, 0.00000000007557 ] - [ -0.00000000036007, -0.00000000010123 ] - # atom 2 - [ -0.11979671188912, -0.08984753391669 ] - [ 0.00739645716596, 0.05140491852737 ] - [ -0.75579240162468, -0.63533994120363 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000002772, 0.00000000000000 ] - [ -0.00000000025418, 0.00000000003328 ] - [ -0.00000000016558, -0.00000000004232 ] - # atom 2 - [ -0.05936799411048, -0.04452599558234 ] - [ -0.78286723997373, -0.61611142165110 ] - [ -0.04368460358321, 0.01049443135408 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000009665, 0.00000000000000 ] - [ 0.92662752126000, -0.03964563465702 ] - [ 0.37003660230571, 0.05350302281395 ] - # atom 2 - [ 0.00000000007828, -0.00000000001129 ] - [ -0.00000000023585, -0.00000000019004 ] - [ -0.00000000009362, -0.00000000012272 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000002634, 0.00000000000000 ] - [ -0.34442343836735, 0.14547218153101 ] - [ 0.90645964589922, -0.19631925493968 ] - # atom 2 - [ -0.00000000016284, 0.00000000008323 ] - [ -0.00000000004757, 0.00000000001258 ] - [ -0.00000000033301, -0.00000000005709 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000008049, 0.00000000000000 ] - [ 0.00000000005964, 0.00000000000000 ] - # atom 2 - [ -0.00000000029879, -0.00000000022409 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.8333333, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.2531947540, 0.0000000000, -0.6602212091, 0.0000000000, 0.0025372170, 0.0000000000, 0.6944628537, 0.0000000000, 0.1330987561, 0.0000000000 ] - [ -0.2397386016, -0.0231414491, -0.6207372713, 0.0022236113, -0.2380526687, 0.0008527547, 0.4920844361, -0.4865540998, 0.0248404262, 0.0081814676, -0.1389891143, -0.0334130245 ] - [ 0.6547994649, 0.1150094146, -0.2242665796, -0.0166385637, -0.0860062062, -0.0063808872, 0.0748229531, -0.1245531031, -0.1305145179, 0.0019219256, 0.6795528755, -0.0076536231 ] - [ -0.0000000000, 0.0000000000, -0.1790358606, 0.1790358606, 0.4668472410, -0.4668472410, 0.0017940820, -0.0017940820, 0.4910590282, -0.4910590282, 0.0941149631, -0.0941149631 ] - [ 0.1858844047, -0.1531574291, 0.4373555282, -0.4405001919, 0.1677257923, -0.1689317704, 0.0039105354, -0.6920014308, 0.0233499876, -0.0117796538, -0.1219066308, 0.0746535136 ] - [ -0.5443374834, 0.3816894886, 0.1703457870, -0.1468152872, 0.0653275888, -0.0563036449, -0.0351645001, -0.1409800566, -0.0909286264, 0.0936466377, 0.4751041646, -0.4859280141 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23973860160596, -0.02314144913488 ] - [ 0.65479946487516, 0.11500941463101 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.18588440465858, -0.15315742911734 ] - [ -0.54433748344389, 0.38168948859808 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.25319475404434, 0.00000000000000 ] - [ -0.62073727128547, 0.00222361131120 ] - [ -0.22426657962304, -0.01663856367076 ] - # atom 2 - [ -0.17903586059720, 0.17903586059664 ] - [ 0.43735552824774, -0.44050019185708 ] - [ 0.17034578703923, -0.14681528715034 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.66022120910119, 0.00000000000000 ] - [ -0.23805266865516, 0.00085275466960 ] - [ -0.08600620623097, -0.00638088716054 ] - # atom 2 - [ 0.46684724097900, -0.46684724097753 ] - [ 0.16772579232250, -0.16893177043733 ] - [ 0.06532758877983, -0.05630364491105 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00253721698974, 0.00000000000000 ] - [ 0.49208443613336, -0.48655409978138 ] - [ 0.07482295314986, -0.12455310309471 ] - # atom 2 - [ 0.00179408200551, -0.00179408200551 ] - [ 0.00391053543168, -0.69200143081141 ] - [ -0.03516450012253, -0.14098005660678 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.69446285373661, 0.00000000000000 ] - [ 0.02484042615874, 0.00818146757923 ] - [ -0.13051451787354, 0.00192192563496 ] - # atom 2 - [ 0.49105902822708, -0.49105902822554 ] - [ 0.02334998763709, -0.01177965382493 ] - [ -0.09092862640833, 0.09364663768698 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.13309875614503, 0.00000000000000 ] - [ -0.13898911429209, -0.03341302445819 ] - [ 0.67955287553557, -0.00765362307908 ] - # atom 2 - [ 0.09411496309578, -0.09411496309548 ] - [ -0.12190663080597, 0.07465351357338 ] - [ 0.47510416461085, -0.48592801412527 ] - q-position: [ 0.8333333, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.1153853592, 0.0000000000, -0.6972960904, 0.0000000000, -0.0215445284, 0.0000000000, 0.2474025823, 0.0000000000, -0.6572809805, 0.0000000000, 0.0823036418, 0.0000000000 ] - [ -0.5263537334, 0.2746270038, -0.0956759386, 0.0529177606, 0.2776084606, -0.2418902843, -0.4855415841, -0.0220118965, -0.1203192711, -0.0051926673, 0.4986495414, 0.0246982828 ] - [ 0.3547157124, -0.0916216343, 0.0422150604, -0.0064546008, 0.5334348969, -0.2817897488, 0.4499986936, -0.0076288357, 0.2312250127, -0.0036372954, 0.4938902256, -0.0061155425 ] - [ -0.0999266951, 0.0576927043, 0.6038763873, -0.3486481948, 0.0186581169, -0.0107722688, 0.2142568293, -0.1237012381, -0.5692217823, 0.3286403493, 0.0712770141, -0.0411518033 ] - [ 0.3185223393, -0.5010110435, 0.0563989373, -0.0936661345, -0.1194708883, 0.3482875109, -0.4314971095, 0.2237078345, -0.1067958331, 0.0556626299, 0.4441921212, -0.2279353325 ] - [ -0.2613821131, 0.2567046292, -0.0333320286, 0.0266973900, -0.3210734353, 0.5107547486, 0.3858957169, -0.2316060129, 0.1984280021, -0.1187624456, 0.4246635286, -0.2522412197 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.11538535915606, 0.00000000000000 ] - [ -0.52635373337553, 0.27462700376249 ] - [ 0.35471571244656, -0.09162163429958 ] - # atom 2 - [ -0.09992669512857, 0.05769270433164 ] - [ 0.31852233926437, -0.50101104347518 ] - [ -0.26138211309930, 0.25670462920465 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69729609037928, 0.00000000000000 ] - [ -0.09567593860296, 0.05291776057749 ] - [ 0.04221506043213, -0.00645460084616 ] - # atom 2 - [ 0.60387638732773, -0.34864819478050 ] - [ 0.05639893727094, -0.09366613446138 ] - [ -0.03333202863491, 0.02669738997491 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.02154452839803, 0.00000000000000 ] - [ 0.27760846058210, -0.24189028429623 ] - [ 0.53343489688766, -0.28178974879256 ] - # atom 2 - [ 0.01865811691072, -0.01077226882096 ] - [ -0.11947088828190, 0.34828751085658 ] - [ -0.32107343533377, 0.51075474856876 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.24740258229343, 0.00000000000000 ] - [ -0.48554158409159, -0.02201189653289 ] - [ 0.44999869355349, -0.00762883568197 ] - # atom 2 - [ 0.21425682929886, -0.12370123807126 ] - [ -0.43149710954516, 0.22370783447837 ] - [ 0.38589571687357, -0.23160601290539 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65728098051493, 0.00000000000000 ] - [ -0.12031927107194, -0.00519266725023 ] - [ 0.23122501266426, -0.00363729536822 ] - # atom 2 - [ -0.56922178231975, 0.32864034925051 ] - [ -0.10679583311637, 0.05566262990117 ] - [ 0.19842800213592, -0.11876244556567 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.08230364182817, 0.00000000000000 ] - [ 0.49864954136270, 0.02469828280429 ] - [ 0.49389022559422, -0.00611554248696 ] - # atom 2 - [ 0.07127701406502, -0.04115180325742 ] - [ 0.44419212122244, -0.22793533254465 ] - [ 0.42466352859564, -0.25224121972172 ] - q-position: [ 0.8333333, 0.5000000, 0.0000000 ] dynamical_matrix: - [ -0.2979184168, 0.0000000000, 0.6218186049, 0.0000000000, 0.1567993144, 0.0000000000, 0.2685002156, -0.0000000000, -0.0000000000, 0.0000000000, -0.6541466569, 0.0000000000 ] - [ -0.5815108819, -0.1161684598, -0.2238082713, 0.0013072519, -0.2173137964, -0.2259040311, -0.6429732827, 0.0720764338, 0.0806012709, -0.0660920226, -0.2639140064, 0.0295844025 ] - [ 0.2194566579, 0.1069259595, 0.1554680883, 0.1976846741, -0.1995721079, -0.5807984304, -0.0964271446, 0.0000000000, -0.5868486647, 0.3804525450, -0.0395793647, 0.0000000000 ] - [ 0.2580050279, 0.1489592723, -0.5385109394, -0.3109094358, -0.1357922478, -0.0783996908, 0.2325279079, 0.1342500502, 0.0000000000, 0.0000000000, -0.5665073796, -0.3270731881 ] - [ 0.4455191576, 0.3913604462, 0.1944773579, 0.1107720698, 0.0752472850, 0.3042956586, -0.5928691593, -0.2590665075, 0.1028487154, -0.0169367278, -0.2433483308, -0.1063361134 ] - [ -0.1365921197, -0.2023290131, -0.0357969923, -0.2489341007, -0.1175647503, 0.6027725078, -0.0835083210, -0.0482135516, -0.6984518246, 0.0360572211, -0.0342767206, -0.0197896739 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.29791841682434, 0.00000000000000 ] - [ -0.58151088191961, -0.11616845984106 ] - [ 0.21945665794064, 0.10692595952026 ] - # atom 2 - [ 0.25800502792497, 0.14895927232458 ] - [ 0.44551915755383, 0.39136044621776 ] - [ -0.13659211965249, -0.20232901305022 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.62181860488733, 0.00000000000000 ] - [ -0.22380827128134, 0.00130725192412 ] - [ 0.15546808833932, 0.19768467414611 ] - # atom 2 - [ -0.53851093943217, -0.31090943584235 ] - [ 0.19447735791139, 0.11077206979306 ] - [ -0.03579699226580, -0.24893410072682 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.15679931441988, 0.00000000000000 ] - [ -0.21731379644916, -0.22590403114652 ] - [ -0.19957210792783, -0.58079843042917 ] - # atom 2 - [ -0.13579224784674, -0.07839969084808 ] - [ 0.07524728503036, 0.30429565857599 ] - [ -0.11756475030435, 0.60277250781966 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.26850021559248, -0.00000000000000 ] - [ -0.64297328267212, 0.07207643377625 ] - [ -0.09642714462763, 0.00000000000000 ] - # atom 2 - [ 0.23252790785617, 0.13425005019470 ] - [ -0.59286915926012, -0.25906650751607 ] - [ -0.08350832103181, -0.04821355162723 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.08060127094922, -0.06609202262670 ] - [ -0.58684866466058, 0.38045254498147 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10284871540434, -0.01693672784078 ] - [ -0.69845182458552, 0.03605722108774 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65414665691808, 0.00000000000000 ] - [ -0.26391400642637, 0.02958440252410 ] - [ -0.03957936473063, 0.00000000000000 ] - # atom 2 - [ -0.56650737962583, -0.32707318812449 ] - [ -0.24334833083067, -0.10633611344675 ] - [ -0.03427672061560, -0.01978967387433 ] - q-position: [ 0.8333333, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0614392691, 0.0000000000, 0.4724955207, 0.0000000000, -0.5224680158, 0.0000000000, -0.0117916520, 0.0000000000, 0.1527402451, 0.0000000000, 0.6903127886, 0.0000000000 ] - [ 0.2150615255, -0.1062041544, 0.4800099279, 0.0289016566, 0.4593884344, 0.0136482951, -0.6961685784, 0.0174057336, 0.1001112741, 0.0607674657, -0.0340425363, -0.0131482357 ] - [ 0.1119517200, -0.6528099837, -0.1180789251, 0.1776517439, -0.0936201449, 0.0838931450, 0.0470440741, -0.1126700249, 0.5551797658, -0.3933589514, -0.1220368035, 0.0851109495 ] - [ -0.0434441561, -0.0434441561, -0.3341050351, -0.3341050351, 0.3694409515, 0.3694409515, -0.0083379509, -0.0083379509, 0.1080035828, 0.1080035828, 0.4881244912, 0.4881244912 ] - [ -0.2271693097, -0.0769738425, -0.3189819548, -0.3598550999, -0.3151861094, -0.3344877277, -0.5045728599, -0.4799574537, 0.0278202530, 0.1137583633, -0.0147744907, -0.0333688901 ] - [ -0.5407685886, 0.3824448302, 0.2091133168, -0.0421243755, 0.1255209443, 0.0068780327, 0.1129348385, -0.0464045204, 0.6707176607, 0.1144245102, -0.1464754720, -0.0261105023 ] band: - # 1 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.06143926906416, 0.00000000000000 ] - [ 0.21506152550116, -0.10620415444700 ] - [ 0.11195171996780, -0.65280998373418 ] - # atom 2 - [ -0.04344415607213, -0.04344415607213 ] - [ -0.22716930967575, -0.07697384245799 ] - [ -0.54076858855407, 0.38244483018560 ] - # 2 frequency: 789.2843623074 eigenvector: - # atom 1 - [ 0.47249552071773, 0.00000000000000 ] - [ 0.48000992793961, 0.02890165655786 ] - [ -0.11807892507139, 0.17765174388643 ] - # atom 2 - [ -0.33410503507144, -0.33410503507144 ] - [ -0.31898195479626, -0.35985509985050 ] - [ 0.20911331682841, -0.04212437546343 ] - # 3 frequency: 789.2843623074 eigenvector: - # atom 1 - [ -0.52246801580685, 0.00000000000000 ] - [ 0.45938843435510, 0.01364829506951 ] - [ -0.09362014489358, 0.08389314497640 ] - # atom 2 - [ 0.36944095148181, 0.36944095148181 ] - [ -0.31518610936786, -0.33448772770251 ] - [ 0.12552094429925, 0.00687803271348 ] - # 4 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ -0.01179165204855, 0.00000000000000 ] - [ -0.69616857839967, 0.01740573360742 ] - [ 0.04704407405092, -0.11267002486300 ] - # atom 2 - [ -0.00833795092853, -0.00833795092853 ] - [ -0.50457285992486, -0.47995745368726 ] - [ 0.11293483846503, -0.04640452035528 ] - # 5 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.15274024509024, 0.00000000000000 ] - [ 0.10011127406195, 0.06076746570489 ] - [ 0.55517976582089, -0.39335895140155 ] - # atom 2 - [ 0.10800358279999, 0.10800358279999 ] - [ 0.02782025301222, 0.11375836329778 ] - [ 0.67071766071875, 0.11442451017789 ] - # 6 frequency: 1018.9617302119 eigenvector: - # atom 1 - [ 0.69031278855975, 0.00000000000000 ] - [ -0.03404253632498, -0.01314823570032 ] - [ -0.12203680352530, 0.08511094954304 ] - # atom 2 - [ 0.48812449117820, 0.48812449117820 ] - [ -0.01477449068011, -0.03336889011026 ] - [ -0.14647547204820, -0.02611050234781 ] - q-position: [ 0.8333333, 0.5000000, 0.3333333 ] dynamical_matrix: - [ -0.0000000004, 0.0000000000, 0.0000000001, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000001, 0.0000000000, 1.0000000000, 0.0000000000, -0.0000000001, 0.0000000000 ] - [ -0.0000000007, 0.0000000002, -0.0000000004, 0.0000000000, -0.0000000002, 0.0000000001, -0.9969784271, -0.0269151784, 0.0000000001, 0.0000000000, -0.0599356445, -0.0414404102 ] - [ 0.0000000003, 0.0000000000, 0.0000000001, -0.0000000001, 0.0000000003, -0.0000000002, -0.0631683288, 0.0363228760, 0.0000000001, 0.0000000000, 0.9957724594, 0.0559251288 ] - [ -0.7339684432, -0.6422223707, 0.1663190275, 0.1455291451, 0.0000000000, -0.0000000000, 0.0000000003, 0.0000000005, -0.0000000003, -0.0000000003, 0.0000000002, 0.0000000002 ] - [ -0.1382050391, -0.1209294060, -0.6099009772, -0.5336633411, -0.5548586732, 0.0403922656, 0.0000000004, 0.0000000004, -0.0000000000, -0.0000000000, 0.0000000002, 0.0000000003 ] - [ -0.0925277584, -0.0809617863, -0.4083264303, -0.3572856165, 0.8287703713, -0.0603323242, 0.0000000001, 0.0000000001, -0.0000000000, -0.0000000000, -0.0000000002, -0.0000000001 ] band: - # 1 frequency: 911.3869934275 eigenvector: - # atom 1 - [ -0.00000000038720, 0.00000000000000 ] - [ -0.00000000067038, 0.00000000018584 ] - [ 0.00000000025422, 0.00000000004248 ] - # atom 2 - [ -0.73396844319458, -0.64222237069134 ] - [ -0.13820503906893, -0.12092940602866 ] - [ -0.09252775837124, -0.08096178630946 ] - # 2 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000008774, 0.00000000000000 ] - [ -0.00000000043411, 0.00000000000933 ] - [ 0.00000000006547, -0.00000000007904 ] - # atom 2 - [ 0.16631902745027, 0.14552914514320 ] - [ -0.60990097718009, -0.53366334110220 ] - [ -0.40832643027918, -0.35728561649716 ] - # 3 frequency: 911.3869934275 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000018023, 0.00000000014492 ] - [ 0.00000000026560, -0.00000000021822 ] - # atom 2 - [ 0.00000000000477, -0.00000000000035 ] - [ -0.55485867319061, 0.04039226556011 ] - [ 0.82877037128799, -0.06033232419896 ] - # 4 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 0.00000000008401, 0.00000000000000 ] - [ -0.99697842709360, -0.02691517843703 ] - [ -0.06316832879047, 0.03632287595300 ] - # atom 2 - [ 0.00000000026989, 0.00000000050970 ] - [ 0.00000000040307, 0.00000000042097 ] - [ 0.00000000007583, 0.00000000012077 ] - # 5 frequency: 911.3871627529 eigenvector: - # atom 1 - [ 1.00000000000000, 0.00000000000000 ] - [ 0.00000000008049, 0.00000000000000 ] - [ 0.00000000005964, 0.00000000000000 ] - # atom 2 - [ -0.00000000029879, -0.00000000026144 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 911.3871627529 eigenvector: - # atom 1 - [ -0.00000000005457, 0.00000000000000 ] - [ -0.05993564448213, -0.04144041023191 ] - [ 0.99577245939339, 0.05592512882376 ] - # atom 2 - [ 0.00000000020474, 0.00000000016356 ] - [ 0.00000000019000, 0.00000000027138 ] - [ -0.00000000020304, -0.00000000009388 ] - q-position: [ 0.8333333, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.4821288656, 0.0000000000, -0.4914849368, 0.0000000000, -0.1612263699, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071070439, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3604173123, -0.0433817725, -0.1622034013, -0.0376452333, -0.5833230725, -0.0149698815, 0.6348571521, 0.1847024262, -0.0000000000, -0.0000000000, 0.2029921427, -0.1470917121 ] - [ -0.3441558753, 0.1316263718, -0.4419974529, 0.1880248122, 0.3182333541, -0.1795642340, 0.0905252393, 0.2337668985, 0.0000000000, -0.0000000000, -0.6333525137, -0.1897977428 ] - [ 0.1247842253, 0.4657010689, -0.1272057566, -0.4747383465, -0.0417284861, -0.1557328303, -0.0000000000, 0.0000000000, -0.1830126339, -0.6830124481, 0.0000000000, -0.0000000000 ] - [ -0.0513793284, -0.3593646862, -0.0056188306, -0.1664198815, -0.1365154269, -0.5673217328, 0.0140957112, -0.6610289335, -0.0000000000, -0.0000000000, -0.1946177714, -0.1580050993 ] - [ -0.2162155676, -0.2983618581, -0.2960156008, -0.3782726337, 0.2558107741, 0.2609153659, 0.2023716782, -0.1479438821, -0.0000000000, -0.0000000000, -0.0194068343, 0.6608943296 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.48212886555218, 0.00000000000000 ] - [ -0.36041731229470, -0.04338177245680 ] - [ -0.34415587527539, 0.13162637180357 ] - # atom 2 - [ 0.12478422533278, 0.46570106892409 ] - [ -0.05137932838328, -0.35936468617273 ] - [ -0.21621556763272, -0.29836185806596 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.49148493676991, 0.00000000000000 ] - [ -0.16220340132389, -0.03764523325514 ] - [ -0.44199745289243, 0.18802481219139 ] - # atom 2 - [ -0.12720575655084, -0.47473834646199 ] - [ -0.00561883058096, -0.16641988145011 ] - [ -0.29601560075971, -0.37827263367069 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.16122636990346, 0.00000000000000 ] - [ -0.58332307248985, -0.01496988151254 ] - [ 0.31823335412425, -0.17956423402693 ] - # atom 2 - [ -0.04172848611455, -0.15573283030212 ] - [ -0.13651542689100, -0.56732173283425 ] - [ 0.25581077406571, 0.26091536585010 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63485715210827, 0.18470242615793 ] - [ 0.09052523932085, 0.23376689845153 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01409571124338, -0.66102893354503 ] - [ 0.20237167815351, -0.14794388207967 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.70710704393140, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301263388918, -0.68301244809999 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20299214272037, -0.14709171206950 ] - [ -0.63335251373186, -0.18979774277157 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.19461777143211, -0.15800509930465 ] - [ -0.01940683427444, 0.66089432955850 ] - q-position: [ 0.8333333, 0.5000000, 0.6666667 ] dynamical_matrix: - [ 0.6347607957, 0.0000000000, -0.2801852778, 0.0000000000, -0.1362891329, 0.0000000000, -0.1086952071, 0.0000000000, -0.6986605526, 0.0000000000, -0.0076810634, 0.0000000000 ] - [ -0.3034290933, 0.0028319956, -0.4877524232, 0.0220940512, -0.4104791283, -0.0322313889, -0.6270863528, 0.1572935313, 0.0964497304, -0.0272038377, 0.1009832962, 0.2485587259 ] - [ -0.0612600564, -0.0353339542, -0.3272866393, -0.2756608022, 0.3875247767, 0.4021413035, 0.1203325568, 0.2360658665, -0.0128126851, -0.0408274738, -0.5374066493, 0.3730365167 ] - [ 0.0000000000, 0.6347610681, 0.0000000000, -0.2801853980, -0.0000000000, -0.1362891914, -0.0000000000, 0.1086951605, 0.0000000000, 0.6986602528, -0.0000000000, 0.0076810601 ] - [ -0.0028319969, -0.3034292234, -0.0220940606, -0.4877526324, 0.0322314028, -0.4104793045, 0.1572934638, 0.6270860838, -0.0272038260, -0.0964496890, 0.2485586193, -0.1009832529 ] - [ 0.0353339694, -0.0612600827, 0.2756609205, -0.3272867797, -0.4021414760, 0.3875249429, 0.2360657652, -0.1203325052, -0.0408274562, 0.0128126796, 0.3730363566, 0.5374064187 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ 0.63476079573388, 0.00000000000000 ] - [ -0.30342909325745, 0.00283199564785 ] - [ -0.06126005643052, -0.03533395421856 ] - # atom 2 - [ 0.00000000000000, 0.63476106808480 ] - [ -0.00283199686294, -0.30342922344695 ] - [ 0.03533396937897, -0.06126008271480 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.28018527783349, 0.00000000000000 ] - [ -0.48775242316430, 0.02209405115981 ] - [ -0.32728663931241, -0.27566080222504 ] - # atom 2 - [ 0.00000000000000, -0.28018539804998 ] - [ -0.02209406063950, -0.48775263243970 ] - [ 0.27566092050026, -0.32728677973825 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.13628913292831, 0.00000000000000 ] - [ -0.41047912834027, -0.03223138894021 ] - [ 0.38752477666856, 0.40214130345852 ] - # atom 2 - [ -0.00000000000000, -0.13628919140463 ] - [ 0.03223140276943, -0.41047930446074 ] - [ -0.40214147600156, 0.38752494294021 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.10869520712408, 0.00000000000000 ] - [ -0.62708635283320, 0.15729353132689 ] - [ 0.12033255684272, 0.23606586651893 ] - # atom 2 - [ -0.00000000000000, 0.10869516048725 ] - [ 0.15729346383844, 0.62708608377520 ] - [ 0.23606576523239, -0.12033250521277 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.69866055258913, 0.00000000000000 ] - [ 0.09644973035817, -0.02720383771535 ] - [ -0.01281268511702, -0.04082747376031 ] - # atom 2 - [ 0.00000000000000, 0.69866025282146 ] - [ -0.02720382604326, -0.09644968897540 ] - [ -0.04082745624285, 0.01281267961960 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00768106336499, 0.00000000000000 ] - [ 0.10098329618168, 0.24855872594432 ] - [ -0.53740664926656, 0.37303651666988 ] - # atom 2 - [ -0.00000000000000, 0.00768106006935 ] - [ 0.24855861929758, -0.10098325285373 ] - [ 0.37303635661464, 0.53740641868658 ] - q-position: [ 0.8333333, 0.5000000, 0.8333333 ] dynamical_matrix: - [ -0.2182332932, 0.0000000000, 0.6178272414, 0.0000000000, -0.2658261533, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2351707181, 0.0998817833, 0.1879162463, 0.0135424560, 0.6298170977, -0.0505241192, -0.4164473498, 0.0186348804, 0.0000000000, 0.0000000000, 0.5585645216, 0.1192904318 ] - [ 0.0933474707, 0.6151249112, 0.0079580267, 0.2876283541, -0.0581389005, 0.1635049710, 0.5101218779, -0.2569050440, 0.0000000000, -0.0000000000, 0.4075827682, -0.0874753734 ] - [ 0.0564829535, -0.2107972524, -0.1599055161, 0.5967755104, 0.0688008967, -0.2567684422, 0.0000000000, 0.0000000000, 0.1830126679, -0.6830125750, 0.0000000000, -0.0000000000 ] - [ -0.0356117466, -0.2530088720, -0.0617173344, 0.1780081761, -0.1142061507, 0.6214334357, -0.0897845598, 0.4070801611, 0.0000000000, -0.0000000000, 0.2597927484, -0.5086570724 ] - [ -0.6183253711, -0.0690393350, -0.2798874485, -0.0667568573, -0.1428862726, -0.0984761025, -0.1161219164, -0.5592316067, 0.0000000000, -0.0000000000, 0.0209954527, -0.4163348601 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.21823329316996, 0.00000000000000 ] - [ -0.23517071812130, 0.09988178331586 ] - [ 0.09334747068650, 0.61512491120088 ] - # atom 2 - [ 0.05648295353539, -0.21079725235651 ] - [ -0.03561174661315, -0.25300887201358 ] - [ -0.61832537110427, -0.06903933503374 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.61782724139019, 0.00000000000000 ] - [ 0.18791624630651, 0.01354245601978 ] - [ 0.00795802667184, 0.28762835409257 ] - # atom 2 - [ -0.15990551607157, 0.59677551039213 ] - [ -0.06171733438177, 0.17800817609524 ] - [ -0.27988744845504, -0.06675685726707 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.26582615326503, 0.00000000000000 ] - [ 0.62981709769461, -0.05052411920872 ] - [ -0.05813890048667, 0.16350497096889 ] - # atom 2 - [ 0.06880089671592, -0.25676844215117 ] - [ -0.11420615065612, 0.62143343570059 ] - [ -0.14288627257162, -0.09847610253915 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41644734977284, 0.01863488044248 ] - [ 0.51012187785294, -0.25690504398039 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08978455975213, 0.40708016113522 ] - [ -0.11612191642509, -0.55923160674027 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.18301266788981, -0.68301257499636 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.55856452158888, 0.11929043175780 ] - [ 0.40758276821589, -0.08747537342243 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.25979274843615, -0.50865707240884 ] - [ 0.02099545271500, -0.41633486008867 ] - q-position: [ 0.8333333, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.0932717635, 0.0000000000, 0.0663015143, -0.0000000000, 0.6977853158, 0.0000000000, -0.0372462576, 0.0000000000, -0.0274546626, 0.0000000000, 0.7055913111, 0.0000000000 ] - [ -0.5890485830, -0.0185751697, -0.3735722866, -0.0077973237, 0.1142328545, 0.0032237898, -0.0740366857, -0.0893706978, -0.6968108631, 0.0014749989, -0.0310212105, -0.0046602451 ] - [ 0.3776182707, 0.0371673137, -0.5943509569, -0.0522863003, 0.0059978998, 0.0000000000, 0.6928577085, -0.0713617551, -0.0657734024, 0.0968126381, 0.0340148323, 0.0000000000 ] - [ -0.0930323175, -0.0066794199, -0.0661313060, -0.0047480141, -0.6959939710, -0.0499701189, -0.0371506186, -0.0026672944, -0.0273841660, -0.0019660947, 0.7037795315, 0.0505290970 ] - [ 0.5862061722, 0.0607106984, 0.3720548715, 0.0345297347, -0.1137087340, -0.0113960088, -0.0674465268, -0.0944431623, -0.6951272577, -0.0484290964, -0.0306078245, -0.0068697825 ] - [ -0.3739872118, -0.0641140693, 0.5890807971, 0.0947150023, -0.0059825021, -0.0004295243, 0.6961890131, -0.0215613033, -0.0725374996, 0.0918538557, 0.0339274908, 0.0024358842 ] band: - # 1 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.09327176347163, 0.00000000000000 ] - [ -0.58904858304214, -0.01857516968610 ] - [ 0.37761827071467, 0.03716731367041 ] - # atom 2 - [ -0.09303231749470, -0.00667941987605 ] - [ 0.58620617220781, 0.06071069835628 ] - [ -0.37398721178749, -0.06411406931959 ] - # 2 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.06630151430213, -0.00000000000000 ] - [ -0.37357228661909, -0.00779732371111 ] - [ -0.59435095690045, -0.05228630033615 ] - # atom 2 - [ -0.06613130597462, -0.00474801414660 ] - [ 0.37205487154262, 0.03452973474083 ] - [ 0.58908079709078, 0.09471500226380 ] - # 3 frequency: 530.3005566346 eigenvector: - # atom 1 - [ 0.69778531576487, 0.00000000000000 ] - [ 0.11423285445265, 0.00322378982781 ] - [ 0.00599789984999, 0.00000000000000 ] - # atom 2 - [ -0.69599397098481, -0.04997011886401 ] - [ -0.11370873395289, -0.01139600880012 ] - [ -0.00598250212472, -0.00042952432742 ] - # 4 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.03724625757329, 0.00000000000000 ] - [ -0.07403668567964, -0.08937069784580 ] - [ 0.69285770846768, -0.07136175514160 ] - # atom 2 - [ -0.03715061862749, -0.00266729441070 ] - [ -0.06744652684475, -0.09444316232632 ] - [ 0.69618901308415, -0.02156130330863 ] - # 5 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ -0.02745466259131, 0.00000000000000 ] - [ -0.69681086312940, 0.00147499887718 ] - [ -0.06577340235576, 0.09681263807362 ] - # atom 2 - [ -0.02738416597880, -0.00196609465886 ] - [ -0.69512725773665, -0.04842909643277 ] - [ -0.07253749963614, 0.09185385565748 ] - # 6 frequency: 1174.7485398384 eigenvector: - # atom 1 - [ 0.70559131105891, 0.00000000000000 ] - [ -0.03102121052061, -0.00466024507875 ] - [ 0.03401483227741, 0.00000000000000 ] - # atom 2 - [ 0.70377953147215, 0.05052909695749 ] - [ -0.03060782451821, -0.00686978251607 ] - [ 0.03392749081245, 0.00243588424517 ] - q-position: [ 0.8333333, 0.6666667, 0.1666667 ] dynamical_matrix: - [ -0.3508574911, 0.0000000000, 0.6139208470, 0.0000000000, 0.0000000000, 0.0000000000, 0.0630561934, 0.0000000000, 0.7034056250, 0.0000000000, -0.0352797065, 0.0000000000 ] - [ 0.5927962337, -0.0000000000, 0.3387847151, -0.0000000000, -0.1838948819, 0.0000000000, 0.4626858411, -0.0000000000, -0.0146681456, 0.0000000000, 0.5345155493, -0.0000000000 ] - [ -0.1596603638, -0.0000000000, -0.0912463470, -0.0000000000, -0.6827755545, -0.0000000000, -0.5309858223, -0.0000000000, 0.0707501712, 0.0000000000, 0.4615719709, 0.0000000000 ] - [ 0.3508576416, -0.0000000000, -0.6139211104, 0.0000000000, -0.0000000000, 0.0000000000, 0.0630561663, -0.0000000000, 0.7034053232, -0.0000000000, -0.0352796914, 0.0000000000 ] - [ -0.5927964880, 0.0000000000, -0.3387848605, 0.0000000000, 0.1838949608, -0.0000000000, 0.4626856426, -0.0000000000, -0.0146681393, 0.0000000000, 0.5345153200, -0.0000000000 ] - [ 0.1596604323, 0.0000000000, 0.0912463862, 0.0000000000, 0.6827758475, 0.0000000000, -0.5309855945, 0.0000000000, 0.0707501408, -0.0000000000, 0.4615717729, -0.0000000000 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.35085749108399, 0.00000000000000 ] - [ 0.59279623367913, -0.00000000000072 ] - [ -0.15966036375938, -0.00000000000040 ] - # atom 2 - [ 0.35085764162316, -0.00000000000055 ] - [ -0.59279648802470, 0.00000000000165 ] - [ 0.15966043226337, 0.00000000000015 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.61392084703155, 0.00000000000000 ] - [ 0.33878471512796, -0.00000000000041 ] - [ -0.09124634702508, -0.00000000000023 ] - # atom 2 - [ -0.61392111044087, 0.00000000000096 ] - [ -0.33878486048717, 0.00000000000094 ] - [ 0.09124638617530, 0.00000000000008 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.18389488193312, 0.00000000000034 ] - [ -0.68277555453347, -0.00000000000129 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.18389496083519, -0.00000000000062 ] - [ 0.68277584748564, 0.00000000000021 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.06305619336466, 0.00000000000000 ] - [ 0.46268584108958, -0.00000000000071 ] - [ -0.53098582228144, -0.00000000000001 ] - # atom 2 - [ 0.06305616630974, -0.00000000000010 ] - [ 0.46268564256935, -0.00000000000143 ] - [ -0.53098559445638, 0.00000000000082 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.70340562502393, 0.00000000000000 ] - [ -0.01466814562654, 0.00000000000002 ] - [ 0.07075017115795, 0.00000000000000 ] - # atom 2 - [ 0.70340532322034, -0.00000000000111 ] - [ -0.01466813933302, 0.00000000000005 ] - [ 0.07075014080185, -0.00000000000011 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.03527970653732, 0.00000000000000 ] - [ 0.53451554934297, -0.00000000000077 ] - [ 0.46157197092927, 0.00000000000005 ] - # atom 2 - [ -0.03527969140019, 0.00000000000006 ] - [ 0.53451532000345, -0.00000000000161 ] - [ 0.46157177288696, -0.00000000000067 ] - q-position: [ 0.8333333, 0.6666667, 0.3333333 ] dynamical_matrix: - [ -0.2291597291, 0.0000000000, 0.3699450915, 0.0000000000, 0.5573383857, -0.0000000000, -0.3643035263, 0.0000000000, -0.4848750316, 0.0000000000, 0.3635650094, 0.0000000000 ] - [ -0.3417895421, 0.0605646887, 0.4372741434, 0.0514175827, -0.4307828566, -0.0092272393, 0.5979087848, 0.0032266957, -0.2188122209, -0.0095762062, 0.3073004645, -0.0095382299 ] - [ 0.4365867554, 0.3693091921, 0.2588166414, 0.3198464623, 0.0077155218, -0.0604566906, -0.0959267612, -0.0240008790, 0.4614552277, 0.0631280953, 0.5193064675, 0.0601422904 ] - [ 0.1620405189, -0.1620405189, -0.2615908773, 0.2615908773, -0.3940980448, 0.3940980448, -0.2576013025, 0.2576013024, -0.3428581681, 0.3428581681, 0.2570790925, -0.2570790925 ] - [ 0.1988561486, -0.2845076165, -0.3455574903, 0.2728419934, 0.3111343538, -0.2980850572, 0.4250666588, -0.4205034254, -0.1614948855, 0.1479520949, 0.2105495388, -0.2240386228 ] - [ -0.5698549129, 0.0475724565, -0.4091769088, -0.0431546323, 0.0372936658, 0.0482050695, -0.0848015846, 0.0508592413, 0.3709361494, -0.2816596071, 0.4097318416, -0.3246778620 ] band: - # 1 frequency: 789.2843623067 eigenvector: - # atom 1 - [ -0.22915972911593, 0.00000000000000 ] - [ -0.34178954209118, 0.06056468874353 ] - [ 0.43658675537745, 0.36930919213798 ] - # atom 2 - [ 0.16204051885415, -0.16204051885364 ] - [ 0.19885614862161, -0.28450761649513 ] - [ -0.56985491290924, 0.04757245654113 ] - # 2 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.36994509153979, 0.00000000000000 ] - [ 0.43727414343969, 0.05141758268165 ] - [ 0.25881664144494, 0.31984646230595 ] - # atom 2 - [ -0.26159087729732, 0.26159087729650 ] - [ -0.34555749025320, 0.27284199344055 ] - [ -0.40917690876631, -0.04315463225663 ] - # 3 frequency: 789.2843623067 eigenvector: - # atom 1 - [ 0.55733838574041, -0.00000000000000 ] - [ -0.43078285660174, -0.00922723931643 ] - [ 0.00771552183835, -0.06045669059979 ] - # atom 2 - [ -0.39409804484897, 0.39409804484773 ] - [ 0.31113435383565, -0.29808505715249 ] - [ 0.03729366579380, 0.04820506952737 ] - # 4 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.36430352634339, 0.00000000000000 ] - [ 0.59790878484292, 0.00322669569994 ] - [ -0.09592676124431, -0.02400087896025 ] - # atom 2 - [ -0.25760130245028, 0.25760130244947 ] - [ 0.42506665881391, -0.42050342538326 ] - [ -0.08480158461970, 0.05085924130945 ] - # 5 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ -0.48487503156919, 0.00000000000000 ] - [ -0.21881222089607, -0.00957620615999 ] - [ 0.46145522770793, 0.06312809534045 ] - # atom 2 - [ -0.34285816805437, 0.34285816805329 ] - [ -0.16149488550035, 0.14795209493673 ] - [ 0.37093614936224, -0.28165960711029 ] - # 6 frequency: 1018.9617302125 eigenvector: - # atom 1 - [ 0.36356500936138, 0.00000000000000 ] - [ 0.30730046445204, -0.00953822989814 ] - [ 0.51930646747959, 0.06014229042270 ] - # atom 2 - [ 0.25707909247236, -0.25707909247155 ] - [ 0.21054953876372, -0.22403862282154 ] - [ 0.40973184156905, -0.32467786198823 ] - q-position: [ 0.8333333, 0.6666667, 0.5000000 ] dynamical_matrix: - [ -0.3000346515, 0.0000000000, -0.6312967181, 0.0000000000, -0.1069740484, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069329, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.5773427419, -0.0141812752, -0.2161190547, 0.0129362455, -0.3438925515, -0.0365671436, 0.6144104407, -0.1930348303, -0.0000000000, 0.0000000000, -0.1920996702, -0.2198528962 ] - [ 0.2124784149, 0.1769354862, -0.1689347849, -0.1614016275, 0.4010046243, 0.4562372045, -0.0361636744, -0.2897063477, 0.0000000000, -0.0000000000, 0.5530754275, -0.3299548558 ] - [ -0.0000000000, -0.3000347803, -0.0000000000, -0.6312969890, -0.0000000000, -0.1069740943, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071066295, 0.0000000000, 0.0000000000 ] - [ 0.0141812812, 0.5773429897, -0.0129362511, -0.2161191474, 0.0365671593, -0.3438926990, -0.1930347474, -0.6144101770, -0.0000000000, -0.0000000000, -0.2198528018, 0.1920995877 ] - [ -0.1769355622, 0.2124785061, 0.1614016968, -0.1689348573, -0.4562374002, 0.4010047964, -0.2897062234, 0.0361636588, -0.0000000000, -0.0000000000, -0.3299547142, -0.5530751902 ] band: - # 1 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.30003465154528, 0.00000000000000 ] - [ 0.57734274194932, -0.01418127515228 ] - [ 0.21247841491083, 0.17693548624364 ] - # atom 2 - [ -0.00000000000000, -0.30003478027836 ] - [ 0.01418128123691, 0.57734298966440 ] - [ -0.17693556215971, 0.21247850607697 ] - # 2 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.63129671812578, 0.00000000000000 ] - [ -0.21611905471141, 0.01293624551094 ] - [ -0.16893478485928, -0.16140162750290 ] - # atom 2 - [ -0.00000000000000, -0.63129698899040 ] - [ -0.01293625106137, -0.21611914743960 ] - [ 0.16140169675399, -0.16893485734256 ] - # 3 frequency: 686.2613363265 eigenvector: - # atom 1 - [ -0.10697404837347, 0.00000000000000 ] - [ -0.34389255149782, -0.03656714358874 ] - [ 0.40100462432276, 0.45623720447825 ] - # atom 2 - [ -0.00000000000000, -0.10697409427183 ] - [ 0.03656715927826, -0.34389269904860 ] - [ -0.45623740023171, 0.40100479637809 ] - # 4 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.61441044066865, -0.19303483026587 ] - [ -0.03616367436300, -0.28970634768409 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.19303474744224, -0.61441017704938 ] - [ -0.28970622338254, 0.03616365884660 ] - # 5 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ 0.70710693288237, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.70710662949069 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1091.0078782863 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19209967016805, -0.21985289616745 ] - [ 0.55307542746069, -0.32995485575696 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21985280183725, 0.19209958774567 ] - [ -0.32995471418635, -0.55307519015786 ] - q-position: [ 0.8333333, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.2292366814, 0.0000000000, -0.0937248914, 0.0000000000, -0.6623186908, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071068805, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6347561729, -0.0230607101, 0.1870771328, -0.0306880829, -0.2461702875, -0.0036389180, 0.1415626914, 0.4983103119, -0.0000000000, -0.0000000000, -0.4516968738, 0.1661833689 ] - [ 0.0215409401, 0.2086604802, 0.1811299371, 0.6499752596, -0.0181761594, -0.0197581991, -0.1920369828, 0.4413261551, 0.0000000000, 0.0000000000, 0.4892858976, 0.1701542620 ] - [ 0.0164162013, 0.2286481882, -0.0067118695, -0.0934842821, -0.0474302668, -0.6606183955, -0.0000000000, 0.0000000000, -0.0506376305, -0.7052912093, -0.0000000000, -0.0000000000 ] - [ -0.0224549383, -0.6347780697, 0.0440063534, 0.1843992220, -0.0139992822, -0.2457989144, 0.4868931313, -0.1768843985, -0.0000000000, -0.0000000000, 0.1981037556, 0.4386362386 ] - [ -0.2065822103, 0.0364283295, -0.6353354929, 0.2272112663, 0.0184058368, -0.0195444309, 0.4539451733, 0.1599394492, -0.0000000000, -0.0000000000, 0.1346784049, -0.5002146929 ] band: - # 1 frequency: 530.3005566342 eigenvector: - # atom 1 - [ 0.22923668139623, 0.00000000000000 ] - [ -0.63475617288810, -0.02306071005365 ] - [ 0.02154094005766, 0.20866048018994 ] - # atom 2 - [ 0.01641620131388, 0.22864818816866 ] - [ -0.02245493834739, -0.63477806968816 ] - [ -0.20658221032044, 0.03642832950565 ] - # 2 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.09372489137399, 0.00000000000000 ] - [ 0.18707713275888, -0.03068808285706 ] - [ 0.18112993709410, 0.64997525964566 ] - # atom 2 - [ -0.00671186947720, -0.09348428213340 ] - [ 0.04400635341075, 0.18439922201597 ] - [ -0.63533549288034, 0.22721126625031 ] - # 3 frequency: 530.3005566342 eigenvector: - # atom 1 - [ -0.66231869081004, 0.00000000000000 ] - [ -0.24617028747236, -0.00363891800809 ] - [ -0.01817615935167, -0.01975819914244 ] - # atom 2 - [ -0.04743026681447, -0.66061839545739 ] - [ -0.01399928217270, -0.24579891437491 ] - [ 0.01840583679133, -0.01954443089586 ] - # 4 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.14156269135245, 0.49831031187840 ] - [ -0.19203698277427, 0.44132615510834 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.48689313130706, -0.17688439852060 ] - [ 0.45394517331849, 0.15993944924190 ] - # 5 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ 0.70710688049478, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063763054359, -0.70529120930994 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7485398386 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.45169687384008, 0.16618336889970 ] - [ 0.48928589762466, 0.17015426204750 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.19810375559584, 0.43863623860983 ] - [ 0.13467840486572, -0.50021469292376 ] - q-position: [ 0.8333333, 0.6666667, 0.8333333 ] dynamical_matrix: - [ -0.4440002892, 0.0000000000, 0.5281767491, -0.0000000000, -0.1545734165, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071068688, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.5195512701, 0.0065404280, 0.3371811072, 0.0116621244, -0.3402246924, 0.0210625547, 0.5475069995, 0.2513021772, -0.0000000000, 0.0000000000, 0.1371165889, -0.3439221805 ] - [ -0.0283824132, -0.1791138145, -0.0721239127, -0.3193747562, -0.1649208163, -0.5768115697, -0.2466408068, 0.2761371717, 0.0000000000, 0.0000000000, -0.4691486466, -0.3779103678 ] - [ -0.0000000000, -0.4440003992, 0.0000000000, 0.5281768799, -0.0000000000, -0.1545734548, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071066936, 0.0000000000, -0.0000000000 ] - [ -0.0065404296, 0.5195513988, -0.0116621273, 0.3371811908, -0.0210625600, -0.3402247766, 0.2513021149, -0.5475068638, -0.0000000000, -0.0000000000, -0.3439220953, -0.1371165549 ] - [ 0.1791138589, -0.0283824203, 0.3193748353, -0.0721239305, 0.5768117126, -0.1649208571, 0.2761371033, 0.2466407457, -0.0000000000, -0.0000000000, -0.3779102742, 0.4691485304 ] band: - # 1 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.44400028918824, 0.00000000000000 ] - [ 0.51955127005161, 0.00654042796901 ] - [ -0.02838241324331, -0.17911381451426 ] - # atom 2 - [ -0.00000000000023, -0.44400039917524 ] - [ -0.00654042958892, 0.51955139875397 ] - [ 0.17911385888402, -0.02838242027425 ] - # 2 frequency: 455.6935390447 eigenvector: - # atom 1 - [ 0.52817674905595, -0.00000000000000 ] - [ 0.33718110723730, 0.01166212440794 ] - [ -0.07212391265420, -0.31937475619957 ] - # atom 2 - [ 0.00000000000028, 0.52817687989499 ] - [ -0.01166212729668, 0.33718119076323 ] - [ 0.31937483531450, -0.07212393052078 ] - # 3 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.15457341653181, 0.00000000000000 ] - [ -0.34022469236508, 0.02106255474108 ] - [ -0.16492081626308, -0.57681156966425 ] - # atom 2 - [ -0.00000000000008, -0.15457345482247 ] - [ -0.02106255995884, -0.34022477664495 ] - [ 0.57681171255095, -0.16492085711728 ] - # 4 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.54750699945077, 0.25130217716551 ] - [ -0.24664080677268, 0.27613717170627 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25130211491309, -0.54750686382344 ] - [ 0.27613710330219, 0.24664074567511 ] - # 5 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.70710686876817, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000037, -0.70710669360491 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.13711658888362, -0.34392218046578 ] - [ -0.46914864660068, -0.37791036779700 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.34392209527006, -0.13711655491716 ] - [ -0.37791027418147, 0.46914853038420 ] - q-position: [ 0.8333333, 0.8333333, 0.0000000 ] dynamical_matrix: - [ -0.1163123553, 0.0000000000, 0.1398304852, 0.0000000000, -0.6833145426, 0.0000000000, -0.0151197582, 0.0000000000, 0.0413892130, 0.0000000000, 0.7057325508, 0.0000000000 ] - [ 0.6036413748, 0.0000000000, -0.3268635360, 0.0000000000, -0.1696384749, 0.0000000000, -0.6552142877, 0.0000000000, 0.2642386610, 0.0000000000, -0.0295342928, 0.0000000000 ] - [ 0.3494115330, 0.0000000000, 0.6112344533, 0.0000000000, 0.0656042409, 0.0000000000, -0.2654538327, 0.0000000000, -0.6545723569, 0.0000000000, 0.0327016756, 0.0000000000 ] - [ 0.1163123802, 0.0000000000, -0.1398305152, 0.0000000000, 0.6833146892, 0.0000000000, -0.0151197549, 0.0000000000, 0.0413892041, 0.0000000000, 0.7057323994, 0.0000000000 ] - [ -0.6036415043, 0.0000000000, 0.3268636062, 0.0000000000, 0.1696385113, 0.0000000000, -0.6552141472, 0.0000000000, 0.2642386043, 0.0000000000, -0.0295342865, 0.0000000000 ] - [ -0.3494116079, 0.0000000000, -0.6112345845, 0.0000000000, -0.0656042549, 0.0000000000, -0.2654537758, 0.0000000000, -0.6545722164, 0.0000000000, 0.0327016686, 0.0000000000 ] band: - # 1 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.11631235526713, 0.00000000000000 ] - [ 0.60364137480156, 0.00000000000000 ] - [ 0.34941153297328, 0.00000000000000 ] - # atom 2 - [ 0.11631238021966, 0.00000000000000 ] - [ -0.60364150430095, 0.00000000000000 ] - [ -0.34941160793265, 0.00000000000000 ] - # 2 frequency: 333.5908232625 eigenvector: - # atom 1 - [ 0.13983048522845, 0.00000000000000 ] - [ -0.32686353604369, 0.00000000000000 ] - [ 0.61123445333246, 0.00000000000000 ] - # atom 2 - [ -0.13983051522634, 0.00000000000000 ] - [ 0.32686360616583, 0.00000000000000 ] - [ -0.61123458446079, 0.00000000000000 ] - # 3 frequency: 333.5908232625 eigenvector: - # atom 1 - [ -0.68331454261404, 0.00000000000000 ] - [ -0.16963847490337, 0.00000000000000 ] - [ 0.06560424086500, 0.00000000000000 ] - # atom 2 - [ 0.68331468920573, 0.00000000000000 ] - [ 0.16963851129596, 0.00000000000000 ] - [ -0.06560425493910, 0.00000000000000 ] - # 4 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ -0.01511975817513, 0.00000000000000 ] - [ -0.65521428773971, 0.00000000000000 ] - [ -0.26545383274616, 0.00000000000000 ] - # atom 2 - [ -0.01511975493148, 0.00000000000000 ] - [ -0.65521414717640, 0.00000000000000 ] - [ -0.26545377579827, 0.00000000000000 ] - # 5 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.04138921298911, 0.00000000000000 ] - [ 0.26423866097698, 0.00000000000000 ] - [ -0.65457235685476, 0.00000000000000 ] - # atom 2 - [ 0.04138920410987, 0.00000000000000 ] - [ 0.26423860428978, 0.00000000000000 ] - [ -0.65457221642916, 0.00000000000000 ] - # 6 frequency: 1244.9779013519 eigenvector: - # atom 1 - [ 0.70573255077687, 0.00000000000000 ] - [ -0.02953429281348, 0.00000000000000 ] - [ 0.03270167560141, 0.00000000000000 ] - # atom 2 - [ 0.70573239937586, 0.00000000000000 ] - [ -0.02953428647748, 0.00000000000000 ] - [ 0.03270166858591, 0.00000000000000 ] - q-position: [ 0.8333333, 0.8333333, 0.1666667 ] dynamical_matrix: - [ -0.7071066819, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071068805, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6512793894, -0.1703920456, -0.1354276859, -0.1687036136, 0.6167463290, -0.0874853880, -0.2489514430, -0.2235924685, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.2022753066, -0.0767220155, 0.3631549917, 0.5668480786, 0.3322034396, 0.0401408480, 0.3402555517, 0.5217814552, -0.0000000000, 0.0000000000 ] - [ 0.7052914074, -0.0506376448, -0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.7052912093, 0.0506376305 ] - [ 0.0000000000, -0.0000000000, 0.6618096265, 0.1233149022, 0.1471612976, 0.1585722111, 0.6088976410, -0.1314274411, -0.2643241952, -0.2051903260, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0000000000, 0.2072502801, 0.0620396247, -0.4028160872, -0.5393864539, 0.3342250084, 0.0162478863, 0.3767478912, 0.4960751314, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.3005566358 eigenvector: - # atom 1 - [ -0.70710668187830, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70529140741645, -0.05063764476731 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 2 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.65127938935985, -0.17039204563607 ] - [ -0.20227530663337, -0.07672201549970 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.66180962648797, 0.12331490219401 ] - [ 0.20725028008287, 0.06203962470356 ] - # 3 frequency: 530.3005566358 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13542768585361, -0.16870361359585 ] - [ 0.36315499168213, 0.56684807862190 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.14716129755507, 0.15857221108913 ] - [ -0.40281608721258, -0.53938645394375 ] - # 4 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.61674632904439, -0.08748538804207 ] - [ 0.33220343956006, 0.04014084798449 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.60889764103305, -0.13142744108723 ] - [ 0.33422500837331, 0.01624788627684 ] - # 5 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.24895144296181, -0.22359246852183 ] - [ 0.34025555171444, 0.52178145524549 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.26432419516072, -0.20519032599818 ] - [ 0.37674789122695, 0.49607513138878 ] - # 6 frequency: 1174.7485398379 eigenvector: - # atom 1 - [ -0.70710688049478, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70529120930992, 0.05063763054390 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.1153853592, 0.0000000000, -0.6972960904, 0.0000000000, -0.0215445284, 0.0000000000, 0.2474025823, 0.0000000000, -0.6572809805, 0.0000000000, 0.0823036418, 0.0000000000 ] - [ -0.5263537334, 0.2746270038, -0.0956759386, 0.0529177606, 0.2776084606, -0.2418902843, -0.4855415841, -0.0220118965, -0.1203192711, -0.0051926673, 0.4986495414, 0.0246982828 ] - [ 0.3547157124, -0.0916216343, 0.0422150604, -0.0064546008, 0.5334348969, -0.2817897488, 0.4499986936, -0.0076288357, 0.2312250127, -0.0036372954, 0.4938902256, -0.0061155425 ] - [ -0.0999266951, 0.0576927043, 0.6038763873, -0.3486481948, 0.0186581169, -0.0107722688, 0.2142568293, -0.1237012381, -0.5692217823, 0.3286403493, 0.0712770141, -0.0411518033 ] - [ 0.3185223393, -0.5010110435, 0.0563989373, -0.0936661345, -0.1194708883, 0.3482875109, -0.4314971095, 0.2237078345, -0.1067958331, 0.0556626299, 0.4441921212, -0.2279353325 ] - [ -0.2613821131, 0.2567046292, -0.0333320286, 0.0266973900, -0.3210734353, 0.5107547486, 0.3858957169, -0.2316060129, 0.1984280021, -0.1187624456, 0.4246635286, -0.2522412197 ] band: - # 1 frequency: 686.2613363270 eigenvector: - # atom 1 - [ 0.11538535915606, 0.00000000000000 ] - [ -0.52635373337553, 0.27462700376249 ] - [ 0.35471571244656, -0.09162163429958 ] - # atom 2 - [ -0.09992669512857, 0.05769270433164 ] - [ 0.31852233926437, -0.50101104347518 ] - [ -0.26138211309930, 0.25670462920465 ] - # 2 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.69729609037928, 0.00000000000000 ] - [ -0.09567593860296, 0.05291776057749 ] - [ 0.04221506043213, -0.00645460084616 ] - # atom 2 - [ 0.60387638732773, -0.34864819478050 ] - [ 0.05639893727094, -0.09366613446138 ] - [ -0.03333202863491, 0.02669738997491 ] - # 3 frequency: 686.2613363270 eigenvector: - # atom 1 - [ -0.02154452839803, 0.00000000000000 ] - [ 0.27760846058210, -0.24189028429623 ] - [ 0.53343489688766, -0.28178974879256 ] - # atom 2 - [ 0.01865811691072, -0.01077226882096 ] - [ -0.11947088828190, 0.34828751085658 ] - [ -0.32107343533377, 0.51075474856876 ] - # 4 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.24740258229343, 0.00000000000000 ] - [ -0.48554158409159, -0.02201189653289 ] - [ 0.44999869355349, -0.00762883568197 ] - # atom 2 - [ 0.21425682929886, -0.12370123807126 ] - [ -0.43149710954516, 0.22370783447837 ] - [ 0.38589571687357, -0.23160601290539 ] - # 5 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ -0.65728098051493, 0.00000000000000 ] - [ -0.12031927107194, -0.00519266725023 ] - [ 0.23122501266426, -0.00363729536822 ] - # atom 2 - [ -0.56922178231975, 0.32864034925051 ] - [ -0.10679583311637, 0.05566262990117 ] - [ 0.19842800213592, -0.11876244556567 ] - # 6 frequency: 1091.0078782860 eigenvector: - # atom 1 - [ 0.08230364182817, 0.00000000000000 ] - [ 0.49864954136270, 0.02469828280429 ] - [ 0.49389022559422, -0.00611554248696 ] - # atom 2 - [ 0.07127701406502, -0.04115180325742 ] - [ 0.44419212122244, -0.22793533254465 ] - [ 0.42466352859564, -0.25224121972172 ] - q-position: [ 0.8333333, 0.8333333, 0.5000000 ] dynamical_matrix: - [ -0.2182332932, 0.0000000000, 0.6178272414, 0.0000000000, -0.2658261533, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071069126, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2351707181, 0.0998817833, 0.1879162463, 0.0135424560, 0.6298170977, -0.0505241192, -0.4164473498, 0.0186348804, 0.0000000000, 0.0000000000, 0.5585645216, 0.1192904318 ] - [ 0.0933474707, 0.6151249112, 0.0079580267, 0.2876283541, -0.0581389005, 0.1635049710, 0.5101218779, -0.2569050440, 0.0000000000, -0.0000000000, 0.4075827682, -0.0874753734 ] - [ 0.0564829535, -0.2107972524, -0.1599055161, 0.5967755104, 0.0688008967, -0.2567684422, 0.0000000000, 0.0000000000, 0.1830126679, -0.6830125750, 0.0000000000, -0.0000000000 ] - [ -0.0356117466, -0.2530088720, -0.0617173344, 0.1780081761, -0.1142061507, 0.6214334357, -0.0897845598, 0.4070801611, 0.0000000000, -0.0000000000, 0.2597927484, -0.5086570724 ] - [ -0.6183253711, -0.0690393350, -0.2798874485, -0.0667568573, -0.1428862726, -0.0984761025, -0.1161219164, -0.5592316067, 0.0000000000, -0.0000000000, 0.0209954527, -0.4163348601 ] band: - # 1 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.21823329316996, 0.00000000000000 ] - [ -0.23517071812130, 0.09988178331586 ] - [ 0.09334747068650, 0.61512491120088 ] - # atom 2 - [ 0.05648295353539, -0.21079725235651 ] - [ -0.03561174661315, -0.25300887201358 ] - [ -0.61832537110427, -0.06903933503374 ] - # 2 frequency: 644.4479832033 eigenvector: - # atom 1 - [ 0.61782724139019, 0.00000000000000 ] - [ 0.18791624630651, 0.01354245601978 ] - [ 0.00795802667184, 0.28762835409257 ] - # atom 2 - [ -0.15990551607157, 0.59677551039213 ] - [ -0.06171733438177, 0.17800817609524 ] - [ -0.27988744845504, -0.06675685726707 ] - # 3 frequency: 644.4479832033 eigenvector: - # atom 1 - [ -0.26582615326503, 0.00000000000000 ] - [ 0.62981709769461, -0.05052411920872 ] - [ -0.05813890048667, 0.16350497096889 ] - # atom 2 - [ 0.06880089671592, -0.25676844215117 ] - [ -0.11420615065612, 0.62143343570059 ] - [ -0.14288627257162, -0.09847610253915 ] - # 4 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41644734977284, 0.01863488044248 ] - [ 0.51012187785294, -0.25690504398039 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08978455975213, 0.40708016113522 ] - [ -0.11612191642509, -0.55923160674027 ] - # 5 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ 0.70710691255898, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.18301266788981, -0.68301257499636 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2166497435 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.55856452158888, 0.11929043175780 ] - [ 0.40758276821589, -0.08747537342243 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.25979274843615, -0.50865707240884 ] - [ 0.02099545271500, -0.41633486008867 ] - q-position: [ 0.8333333, 0.8333333, 0.6666667 ] dynamical_matrix: - [ -0.0145989038, 0.0000000000, -0.6856152392, 0.0000000000, -0.1723905218, 0.0000000000, 0.0219292556, 0.0000000000, -0.5398160746, 0.0000000000, 0.4561993393, 0.0000000000 ] - [ -0.6568884395, 0.0094305512, 0.0765795946, 0.0056568326, -0.2489364586, -0.0232964452, 0.4995713704, -0.3139490401, -0.1460050723, -0.2029340582, -0.1967804544, -0.2250384626 ] - [ -0.0386818892, -0.2582616935, -0.0060184976, -0.1549159888, 0.0272119766, 0.6379880937, -0.1799328787, -0.3449751250, 0.3104430614, -0.2229890624, 0.3759934180, -0.2472779396 ] - [ -0.0000000000, -0.0145989074, -0.0000000000, -0.6856154090, -0.0000000000, -0.1723905645, -0.0000000000, -0.0219292502, 0.0000000000, 0.5398159409, -0.0000000000, -0.4561992263 ] - [ -0.0094305536, -0.6568886022, -0.0056568340, 0.0765796136, 0.0232964510, -0.2489365203, -0.3139489623, -0.4995712466, -0.2029340079, 0.1460050361, -0.2250384068, 0.1967804056 ] - [ 0.2582617575, -0.0386818988, 0.1549160272, -0.0060184991, -0.6379882517, 0.0272119834, -0.3449750396, 0.1799328342, -0.2229890072, -0.3104429845, -0.2472778783, -0.3759933249 ] band: - # 1 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.01459890375826, 0.00000000000000 ] - [ -0.65688843951912, 0.00943055122833 ] - [ -0.03868188920214, -0.25826169349584 ] - # atom 2 - [ -0.00000000000001, -0.01459890737468 ] - [ -0.00943055356479, -0.65688860224240 ] - [ 0.25826175747197, -0.03868189878448 ] - # 2 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.68561523915223, 0.00000000000000 ] - [ 0.07657959464608, 0.00565683260673 ] - [ -0.00601849759799, -0.15491598884059 ] - # atom 2 - [ -0.00000000000036, -0.68561540899167 ] - [ -0.00565683400799, 0.07657961361625 ] - [ 0.15491602721611, -0.00601849908897 ] - # 3 frequency: 455.6935390447 eigenvector: - # atom 1 - [ -0.17239052175845, 0.00000000000000 ] - [ -0.24893645863623, -0.02329644524138 ] - [ 0.02721197662021, 0.63798809368037 ] - # atom 2 - [ -0.00000000000009, -0.17239056446273 ] - [ 0.02329645101221, -0.24893652030236 ] - [ -0.63798825172167, 0.02721198336145 ] - # 4 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.02192925562426, 0.00000000000000 ] - [ 0.49957137039937, -0.31394904006643 ] - [ -0.17993287872923, -0.34497512501304 ] - # atom 2 - [ -0.00000000000001, -0.02192925019199 ] - [ -0.31394896229579, -0.49957124664627 ] - [ -0.34497503955632, 0.17993283415676 ] - # 5 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ -0.53981607461972, 0.00000000000000 ] - [ -0.14600507228611, -0.20293405819567 ] - [ 0.31044306139515, -0.22298906243103 ] - # atom 2 - [ 0.00000000000028, 0.53981594089743 ] - [ -0.20293400792513, 0.14600503611810 ] - [ -0.22298900719273, -0.31044298449262 ] - # 6 frequency: 1205.6517783724 eigenvector: - # atom 1 - [ 0.45619933931239, 0.00000000000000 ] - [ -0.19678045438517, -0.22503846258077 ] - [ 0.37599341802348, -0.24727793958285 ] - # atom 2 - [ -0.00000000000024, -0.45619922630349 ] - [ -0.22503840683454, 0.19678040563919 ] - [ -0.24727787832779, -0.37599332488293 ] - q-position: [ 0.8333333, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.5909518208, 0.0000000000, 0.3064336832, 0.0000000000, -0.2384832075, 0.0000000000, 0.0854499035, 0.0000000000, -0.0215174945, 0.0000000000, 0.7015949077, 0.0000000000 ] - [ -0.2690960556, 0.0001250174, 0.0101823412, -0.0070508759, -0.6537256576, -0.0087500776, 0.6653102346, 0.0589506062, 0.0583849916, 0.2102353358, -0.0792400230, -0.0007320263 ] - [ 0.0408785502, -0.2769333564, -0.0997362075, 0.6292833930, -0.0268584099, 0.1223539260, -0.1826999517, 0.1149185033, 0.5302827891, 0.4131943374, 0.0385151744, -0.0013239380 ] - [ 0.0113665632, 0.5908426183, 0.0058940470, 0.3063770571, -0.0045870651, -0.2384391381, -0.0016435711, -0.0854340780, 0.0004138745, 0.0215135094, -0.0134947035, -0.7014649703 ] - [ -0.0053008771, -0.2690439245, 0.0072454235, 0.0100448407, -0.0038255153, -0.6537731571, 0.0461428960, -0.6663208923, 0.2090734038, -0.0624179130, 0.0007922375, 0.0792394276 ] - [ 0.2776684532, 0.0355443683, -0.6310854666, -0.0876139318, -0.1228479197, -0.0245000507, 0.1184113301, 0.1804557355, 0.4029181819, -0.5381320927, -0.0020645061, -0.0384825763 ] band: - # 1 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.59095182075631, 0.00000000000000 ] - [ -0.26909605558036, 0.00012501744513 ] - [ 0.04087855020195, -0.27693335635652 ] - # atom 2 - [ 0.01136656321162, 0.59084261834769 ] - [ -0.00530087707719, -0.26904392450126 ] - [ 0.27766845322918, 0.03554436825030 ] - # 2 frequency: 286.1990244817 eigenvector: - # atom 1 - [ 0.30643368320899, 0.00000000000000 ] - [ 0.01018234121594, -0.00705087588067 ] - [ -0.09973620748971, 0.62928339301955 ] - # atom 2 - [ 0.00589404704076, 0.30637705711002 ] - [ 0.00724542347052, 0.01004484072989 ] - [ -0.63108546656817, -0.08761393178593 ] - # 3 frequency: 286.1990244817 eigenvector: - # atom 1 - [ -0.23848320754876, 0.00000000000000 ] - [ -0.65372565759872, -0.00875007762847 ] - [ -0.02685840988337, 0.12235392603992 ] - # atom 2 - [ -0.00458706506741, -0.23843913806667 ] - [ -0.00382551530260, -0.65377315706162 ] - [ -0.12284791972946, -0.02450005072680 ] - # 4 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.08544990352285, 0.00000000000000 ] - [ 0.66531023463942, 0.05895060617044 ] - [ -0.18269995171972, 0.11491850330889 ] - # atom 2 - [ -0.00164357109212, -0.08543407795587 ] - [ 0.04614289603158, -0.66632089231046 ] - [ 0.11841133005770, 0.18045573549003 ] - # 5 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ -0.02151749451727, 0.00000000000000 ] - [ 0.05838499162815, 0.21023533579585 ] - [ 0.53028278906542, 0.41319433738026 ] - # atom 2 - [ 0.00041387445164, 0.02151350941563 ] - [ 0.20907340378951, -0.06241791303185 ] - [ 0.40291818186435, -0.53813209274980 ] - # 6 frequency: 1256.7191136468 eigenvector: - # atom 1 - [ 0.70159490767441, 0.00000000000000 ] - [ -0.07924002300662, -0.00073202630027 ] - [ 0.03851517443872, -0.00132393796111 ] - # atom 2 - [ -0.01349470345894, -0.70146497028717 ] - [ 0.00079223751413, 0.07923942755802 ] - [ -0.00206450609094, -0.03848257626694 ]