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: - [ -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.0093947584, 0.0000000000, -0.7070443681, 0.0000000000, -0.1561143560, 0.0000000000, 0.0000000000, 0.0000000000, 0.6896581094, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.7070443681, 0.0000000000, -0.0093947584, 0.0000000000, -0.6896581094, 0.0000000000, 0.0000000000, 0.0000000000, -0.1561143560, 0.0000000000 ] - [ -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.0093947584, 0.0000000000, -0.7070443681, 0.0000000000, 0.1561143560, 0.0000000000, -0.0000000000, 0.0000000000, -0.6896581094, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.7070443681, 0.0000000000, -0.0093947584, 0.0000000000, 0.6896581094, 0.0000000000, -0.0000000000, 0.0000000000, 0.1561143560, 0.0000000000 ] band: - # 1 frequency: 0.0000000000 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 2 frequency: 0.0000068571 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00939475843865, 0.00000000000000 ] - [ -0.70704436813674, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00939475843865, 0.00000000000000 ] - [ -0.70704436813674, 0.00000000000000 ] - # 3 frequency: 0.0000165842 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70704436813674, 0.00000000000000 ] - [ -0.00939475843865, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70704436813674, 0.00000000000000 ] - [ -0.00939475843865, 0.00000000000000 ] - # 4 frequency: 1288.8802243868 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15611435598515, 0.00000000000000 ] - [ -0.68965810939577, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.15611435598515, 0.00000000000000 ] - [ 0.68965810939577, 0.00000000000000 ] - # 5 frequency: 1288.8802243868 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1288.8802243868 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68965810939577, 0.00000000000000 ] - [ -0.15611435598515, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68965810939576, 0.00000000000000 ] - [ 0.15611435598515, 0.00000000000000 ] - q-position: [ 0.0000000, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.0120504751, 0.0000000000, -0.1194046391, 0.0000000000, -0.6968481314, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.1442577992, 0.0019737303, 0.6818625908, 0.0029825110, -0.1193314982, -0.0005451834, -0.0187074109, -0.0023326951, -0.7065252569, -0.0216021459, 0.0000000000, -0.0000000000 ] - [ -0.6918684507, -0.0189373900, 0.1441879412, 0.0026233035, -0.0127421817, -0.0001220209, 0.7068522259, 0.0021265181, -0.0187751716, 0.0017034141, -0.0000000000, -0.0000000000 ] - [ -0.0120482458, 0.0002317828, -0.1193825496, 0.0022966679, -0.6967192167, 0.0134034052, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7069759687, 0.0136007234 ] - [ 0.1442690754, -0.0008013366, 0.6817938150, -0.0101332091, -0.1193199085, 0.0017501786, 0.0187488179, 0.0019724391, 0.7068100547, 0.0080086114, 0.0000000000, -0.0000000000 ] - [ -0.6921047052, -0.0056262622, 0.1442117244, -0.0001505399, -0.0127421714, 0.0001230889, -0.7067623626, 0.0114697025, 0.0187389343, -0.0020642268, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.01205047514623, 0.00000000000000 ] - [ 0.14425779923682, 0.00197373027479 ] - [ -0.69186845068812, -0.01893738998182 ] - # atom 2 - [ -0.01204824584701, 0.00023178278573 ] - [ 0.14426907538164, -0.00080133661677 ] - [ -0.69210470520728, -0.00562626224437 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.11940463907151, 0.00000000000000 ] - [ 0.68186259075928, 0.00298251100781 ] - [ 0.14418794123720, 0.00262330347284 ] - # atom 2 - [ -0.11938254959663, 0.00229666793528 ] - [ 0.68179381496268, -0.01013320914126 ] - [ 0.14421172440917, -0.00015053991603 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.69684813138657, 0.00000000000000 ] - [ -0.11933149824894, -0.00054518340643 ] - [ -0.01274218170715, -0.00012202092997 ] - # atom 2 - [ -0.69671921671951, 0.01340340519060 ] - [ -0.11931990854107, 0.00175017857149 ] - [ -0.01274217143497, 0.00012308893978 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01870741092278, -0.00233269512939 ] - [ 0.70685222587950, 0.00212651809370 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01874881793395, 0.00197243911954 ] - [ -0.70676236263257, 0.01146970252594 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70652525687364, -0.02160214594989 ] - [ -0.01877517164601, 0.00170341411981 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70681005471976, 0.00800861143058 ] - [ 0.01873893427445, -0.00206422679434 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70697596870221, 0.01360072342076 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.0000000, 0.3333333 ] dynamical_matrix: - [ -0.7015316451, 0.0000000000, -0.0776082236, 0.0000000000, -0.0427821763, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0239994964, 0.0001224521, -0.1615082658, 0.0209014658, 0.6865189752, -0.0399238605, -0.3264540844, 0.0101802842, 0.0000000000, 0.0000000000, -0.6258248080, 0.0408338386 ] - [ 0.0850364495, 0.0067942923, -0.6819616139, -0.0488214045, -0.1573068853, -0.0228475653, -0.6271165717, 0.0069927212, -0.0000000000, -0.0000000000, 0.3262802047, -0.0147355147 ] - [ -0.6888903998, 0.1325770193, -0.0762097627, 0.0146665757, -0.0420112631, 0.0080850714, -0.0000000000, 0.0000000000, -0.6943650748, 0.1336306210, -0.0000000000, 0.0000000000 ] - [ -0.0235438964, 0.0046557241, -0.1546479628, 0.0510470253, 0.6666033503, -0.1689443441, 0.3186476541, -0.0716908636, 0.0000000000, -0.0000000000, 0.6068308915, -0.1583678053 ] - [ 0.0847881363, -0.0093985158, -0.6788993890, 0.0809369636, -0.1587900789, 0.0072923433, 0.6144947483, -0.1253806082, 0.0000000000, -0.0000000000, -0.3176160500, 0.0761311510 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.70153164506054, 0.00000000000000 ] - [ -0.02399949641838, 0.00012245207415 ] - [ 0.08503644952744, 0.00679429227856 ] - # atom 2 - [ -0.68889039983513, 0.13257701926184 ] - [ -0.02354389637132, 0.00465572405785 ] - [ 0.08478813629094, -0.00939851584602 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.07760822361234, 0.00000000000000 ] - [ -0.16150826580261, 0.02090146581077 ] - [ -0.68196161394811, -0.04882140445967 ] - # atom 2 - [ -0.07620976269742, 0.01466657566936 ] - [ -0.15464796283092, 0.05104702525955 ] - [ -0.67889938898374, 0.08093696355579 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.04278217626984, 0.00000000000000 ] - [ 0.68651897522498, -0.03992386050470 ] - [ -0.15730688533306, -0.02284756527245 ] - # atom 2 - [ -0.04201126310389, 0.00808507135398 ] - [ 0.66660335026460, -0.16894434408278 ] - [ -0.15879007885027, 0.00729234329918 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.32645408435081, 0.01018028421607 ] - [ -0.62711657167841, 0.00699272123503 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.31864765407745, -0.07169086362282 ] - [ 0.61449474831845, -0.12538060820160 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.69436507482950, 0.13363062095574 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.62582480795378, 0.04083383858477 ] - [ 0.32628020470344, -0.01473551474257 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.60683089147987, -0.15836780534469 ] - [ -0.31761605000064, 0.07613115103582 ] - q-position: [ 0.0000000, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0073310265, 0.0000000000, 0.4332200804, -0.0000000000, 0.5588082122, 0.0000000000, 0.0302675247, 0.0000000000, 0.6829690117, 0.0000000000, -0.1806577039, 0.0000000000 ] - [ 0.0807432337, -0.0004332786, 0.5546695359, 0.0000187172, -0.4310708155, -0.0000088265, -0.1031625769, 0.0317255612, -0.1743850562, -0.0052203085, -0.6765394595, -0.0144198376 ] - [ -0.7024143773, 0.0063750325, 0.0682787791, -0.0002753954, -0.0437186127, 0.0001298680, 0.6908850143, 0.1005621472, -0.0533115717, -0.0165470811, -0.0857908180, -0.0457073027 ] - [ 0.0051838185, -0.0051838185, 0.3063328566, -0.3063328566, 0.3951370762, -0.3951370762, -0.0214023720, 0.0214023720, -0.4829320195, 0.4829320195, 0.1277442875, -0.1277442875 ] - [ 0.0567877139, -0.0574004623, 0.3922238252, -0.3921973551, -0.3048193381, 0.3048068556, 0.0505135982, -0.0953803171, 0.1270001713, -0.1196175402, 0.4885820045, -0.4681892747 ] - [ -0.4921741407, 0.5011897981, 0.0480856537, -0.0484751217, -0.0308218969, 0.0310055580, -0.5596376549, 0.4174213024, 0.0493975271, -0.0259964206, 0.0929832129, -0.0283433255 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00733102646435, 0.00000000000000 ] - [ 0.08074323374621, -0.00043327857835 ] - [ -0.70241437733420, 0.00637503247568 ] - # atom 2 - [ 0.00518381852600, -0.00518381852600 ] - [ 0.05678771389598, -0.05740046233777 ] - [ -0.49217414072210, 0.50118979810977 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.43322008040846, -0.00000000000000 ] - [ 0.55466953590758, 0.00001871722931 ] - [ 0.06827877908966, -0.00027539543999 ] - # atom 2 - [ 0.30633285660301, -0.30633285660301 ] - [ 0.39222382523761, -0.39219735507807 ] - [ 0.04808565372231, -0.04847512168856 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.55880821216394, 0.00000000000000 ] - [ -0.43107081550682, -0.00000882646811 ] - [ -0.04371861265895, 0.00012986799637 ] - # atom 2 - [ 0.39513707620386, -0.39513707620386 ] - [ -0.30481933807194, 0.30480685556103 ] - [ -0.03082189693432, 0.03100555801610 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.03026752472562, 0.00000000000000 ] - [ -0.10316257689017, 0.03172556116169 ] - [ 0.69088501430110, 0.10056214724987 ] - # atom 2 - [ -0.02140237198322, 0.02140237198322 ] - [ 0.05051359824934, -0.09538031711810 ] - [ -0.55963765488354, 0.41742130238141 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.68296901172083, 0.00000000000000 ] - [ -0.17438505622487, -0.00522030851853 ] - [ -0.05331157172792, -0.01654708111403 ] - # atom 2 - [ -0.48293201952807, 0.48293201952807 ] - [ 0.12700017134755, -0.11961754024086 ] - [ 0.04939752714910, -0.02599642061995 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.18065770389347, 0.00000000000000 ] - [ -0.67653945954964, -0.01441983755324 ] - [ -0.08579081804626, -0.04570730270010 ] - # atom 2 - [ 0.12774428749666, -0.12774428749666 ] - [ 0.48858200450533, -0.46818927467033 ] - [ 0.09298321289304, -0.02834332551506 ] - q-position: [ 0.0000000, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.0327811518, 0.0000000000, 0.6608473798, 0.0000000000, 0.2494115808, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0276174037, 0.0925260960, 0.2459634456, 0.0052439273, -0.6553409763, -0.0260555167, -0.0965664812, -0.0175292354, 0.6999701180, 0.0202354777, 0.0000000000, 0.0000000000 ] - [ 0.5541492164, -0.4272238788, -0.0130247837, 0.0508486009, -0.0383232222, -0.0785780426, -0.7000538326, 0.0170959665, -0.0966441272, 0.0170959665, -0.0000000000, -0.0000000000 ] - [ 0.0061950554, -0.0321904520, 0.1248884158, -0.6489392445, 0.0471343583, -0.2449173103, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.1336306210, 0.6943650748 ] - [ 0.0960780213, -0.0096339635, 0.0516321564, -0.2405402997, -0.1494338128, 0.6386080338, 0.0354627171, -0.0915136880, -0.1521527630, 0.6835328648, 0.0000000000, -0.0000000000 ] - [ -0.3148011625, -0.6249014520, 0.0474708821, 0.0223995660, -0.0844045143, 0.0227828029, 0.1155098331, -0.6906700508, 0.0014761175, -0.0981334829, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.03278115180908, 0.00000000000000 ] - [ 0.02761740367620, 0.09252609601022 ] - [ 0.55414921638760, -0.42722387882042 ] - # atom 2 - [ 0.00619505538406, -0.03219045204278 ] - [ 0.09607802129722, -0.00963396347908 ] - [ -0.31480116245605, -0.62490145204959 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.66084737984671, 0.00000000000000 ] - [ 0.24596344560832, 0.00524392727839 ] - [ -0.01302478367686, 0.05084860087644 ] - # atom 2 - [ 0.12488841583121, -0.64893924449168 ] - [ 0.05163215641187, -0.24054029968610 ] - [ 0.04747088207197, 0.02239956598307 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.24941158079731, 0.00000000000000 ] - [ -0.65534097634242, -0.02605551667197 ] - [ -0.03832322216478, -0.07857804263675 ] - # atom 2 - [ 0.04713435834906, -0.24491731032908 ] - [ -0.14943381282912, 0.63860803377802 ] - [ -0.08440451430855, 0.02278280285771 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.09656648124862, -0.01752923542775 ] - [ -0.70005383259686, 0.01709596651341 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03546271707390, -0.09151368800981 ] - [ 0.11550983310886, -0.69067005079107 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69997011796849, 0.02023547765073 ] - [ -0.09664412721109, 0.01709596651341 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.15215276296350, 0.68353286484788 ] - [ 0.00147611745687, -0.09813348293357 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.13363062095574, 0.69436507482950 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.0590533721, -0.0000000000, 0.6880449318, 0.0000000000, -0.1520094442, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2519600606, 0.0034930350, -0.1218355192, 0.0001415893, -0.6493504611, 0.0019978711, -0.0596337934, -0.0122451943, 0.0000000000, 0.0000000000, -0.7036590634, 0.0340262899 ] - [ -0.6571744472, -0.0337397659, 0.1082240298, 0.0061495914, 0.2345553478, 0.0147276918, -0.7042883198, 0.0164872230, -0.0000000000, -0.0000000000, 0.0586029485, -0.0164872230 ] - [ 0.0011358519, -0.0590424474, 0.0132340816, -0.6879176457, -0.0029237994, 0.1519813229, 0.0000000000, -0.0000000000, -0.0136007234, 0.7069759687, 0.0000000000, -0.0000000000 ] - [ -0.0013538935, 0.2519806350, -0.0022018612, 0.1218157033, -0.0104923180, 0.6492687610, 0.0133899449, -0.0593872332, 0.0000000000, -0.0000000000, -0.0204855862, -0.7041833615 ] - [ -0.0463738327, 0.6564039103, 0.0082300702, -0.1080857255, 0.0192364816, -0.2342286786, -0.0029376607, -0.7044751493, 0.0000000000, -0.0000000000, 0.0153569846, 0.0589092278 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.05905337210312, -0.00000000000000 ] - [ -0.25196006064217, 0.00349303499455 ] - [ -0.65717444715194, -0.03373976587825 ] - # atom 2 - [ 0.00113585190018, -0.05904244741887 ] - [ -0.00135389353400, 0.25198063501900 ] - [ -0.04637383268400, 0.65640391028175 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.68804493175726, 0.00000000000000 ] - [ -0.12183551915407, 0.00014158926839 ] - [ 0.10822402983559, 0.00614959138765 ] - # atom 2 - [ 0.01323408156571, -0.68791764565387 ] - [ -0.00220186120411, 0.12181570334855 ] - [ 0.00823007016835, -0.10808572548266 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.15200944420135, 0.00000000000000 ] - [ -0.64935046106380, 0.00199787108891 ] - [ 0.23455534783202, 0.01472769175185 ] - # atom 2 - [ -0.00292379943586, 0.15198132294221 ] - [ -0.01049231795401, 0.64926876102013 ] - [ 0.01923648155787, -0.23422867859895 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.05963379338575, -0.01224519434429 ] - [ -0.70428831978007, 0.01648722303060 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.01338994493587, -0.05938723324687 ] - [ -0.00293766073631, -0.70447514934971 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.01360072342076, 0.70697596870221 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70365906339583, 0.03402628987715 ] - [ 0.05860294851663, -0.01648722303060 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02048558623518, -0.70418336153199 ] - [ 0.01535698464189, 0.05890922780696 ] - q-position: [ 0.0000000, 0.1666667, 0.0000000 ] dynamical_matrix: - [ -0.0120504751, 0.0000000000, -0.1194046391, 0.0000000000, -0.6968481314, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.1442577992, 0.0019737303, 0.6818625908, 0.0029825110, -0.1193314982, -0.0005451834, -0.0187074109, -0.0023326951, -0.7065252569, -0.0216021459, 0.0000000000, -0.0000000000 ] - [ -0.6918684507, -0.0189373900, 0.1441879412, 0.0026233035, -0.0127421817, -0.0001220209, 0.7068522259, 0.0021265181, -0.0187751716, 0.0017034141, -0.0000000000, -0.0000000000 ] - [ -0.0120482458, 0.0002317828, -0.1193825496, 0.0022966679, -0.6967192167, 0.0134034052, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7069759687, 0.0136007234 ] - [ 0.1442690754, -0.0008013366, 0.6817938150, -0.0101332091, -0.1193199085, 0.0017501786, 0.0187488179, 0.0019724391, 0.7068100547, 0.0080086114, 0.0000000000, -0.0000000000 ] - [ -0.6921047052, -0.0056262622, 0.1442117244, -0.0001505399, -0.0127421714, 0.0001230889, -0.7067623626, 0.0114697025, 0.0187389343, -0.0020642268, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.01205047514623, 0.00000000000000 ] - [ 0.14425779923682, 0.00197373027479 ] - [ -0.69186845068812, -0.01893738998182 ] - # atom 2 - [ -0.01204824584701, 0.00023178278573 ] - [ 0.14426907538164, -0.00080133661677 ] - [ -0.69210470520728, -0.00562626224437 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.11940463907151, 0.00000000000000 ] - [ 0.68186259075928, 0.00298251100781 ] - [ 0.14418794123720, 0.00262330347284 ] - # atom 2 - [ -0.11938254959663, 0.00229666793528 ] - [ 0.68179381496268, -0.01013320914126 ] - [ 0.14421172440917, -0.00015053991603 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.69684813138657, 0.00000000000000 ] - [ -0.11933149824894, -0.00054518340643 ] - [ -0.01274218170715, -0.00012202092997 ] - # atom 2 - [ -0.69671921671951, 0.01340340519060 ] - [ -0.11931990854107, 0.00175017857149 ] - [ -0.01274217143497, 0.00012308893978 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01870741092278, -0.00233269512939 ] - [ 0.70685222587950, 0.00212651809370 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.01874881793395, 0.00197243911954 ] - [ -0.70676236263257, 0.01146970252594 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70652525687364, -0.02160214594989 ] - [ -0.01877517164601, 0.00170341411981 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70681005471976, 0.00800861143058 ] - [ 0.01873893427445, -0.00206422679434 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70697596870221, 0.01360072342076 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.1666667, 0.1666667 ] dynamical_matrix: - [ -0.2371974298, 0.0000000000, -0.5523944620, 0.0000000000, -0.3722871709, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2336566985, -0.0000000000, -0.3010820969, -0.0000000000, 0.5956123892, 0.0000000000, 0.0000000000, -0.0000000000, 0.4535371489, 0.0000000000, -0.5424979765, -0.0000000000 ] - [ -0.6238124129, -0.0000000000, 0.3228156273, 0.0000000000, -0.0815361530, -0.0000000000, -0.0000000000, -0.0000000000, -0.5424979765, -0.0000000000, -0.4535371489, 0.0000000000 ] - [ -0.2371974298, 0.0000000000, -0.5523944620, 0.0000000000, -0.3722871709, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2336566985, -0.0000000000, -0.3010820969, -0.0000000000, 0.5956123892, 0.0000000000, 0.0000000000, -0.0000000000, -0.4535371489, -0.0000000000, 0.5424979765, -0.0000000000 ] - [ -0.6238124129, 0.0000000000, 0.3228156273, -0.0000000000, -0.0815361530, 0.0000000000, 0.0000000000, -0.0000000000, 0.5424979765, -0.0000000000, 0.4535371489, -0.0000000000 ] band: - # 1 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.23719742984912, 0.00000000000000 ] - [ -0.23365669849563, -0.00000000000000 ] - [ -0.62381241292643, -0.00000000000000 ] - # atom 2 - [ -0.23719742984912, 0.00000000000000 ] - [ -0.23365669849563, -0.00000000000000 ] - [ -0.62381241292643, 0.00000000000000 ] - # 2 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.55239446202598, 0.00000000000000 ] - [ -0.30108209692780, -0.00000000000000 ] - [ 0.32281562730540, 0.00000000000000 ] - # atom 2 - [ -0.55239446202598, 0.00000000000000 ] - [ -0.30108209692780, -0.00000000000000 ] - [ 0.32281562730540, -0.00000000000000 ] - # 3 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.37228717087216, 0.00000000000000 ] - [ 0.59561238919089, 0.00000000000000 ] - [ -0.08153615300175, -0.00000000000000 ] - # atom 2 - [ -0.37228717087216, 0.00000000000000 ] - [ 0.59561238919089, 0.00000000000000 ] - [ -0.08153615300175, 0.00000000000000 ] - # 4 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.45353714891162, 0.00000000000000 ] - [ -0.54249797654656, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.45353714891162, -0.00000000000000 ] - [ 0.54249797654656, -0.00000000000000 ] - # 6 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.54249797654656, -0.00000000000000 ] - [ -0.45353714891163, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.54249797654656, -0.00000000000000 ] - [ 0.45353714891162, -0.00000000000000 ] - q-position: [ 0.0000000, 0.1666667, 0.3333333 ] dynamical_matrix: - [ 0.0105749569, 0.0000000000, -0.5703942578, 0.0000000000, 0.4177781240, 0.0000000000, 0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ 0.1343408401, -0.0008120110, 0.4118315634, 0.0013735126, 0.5588749074, 0.0018958165, -0.1207769580, 0.0148939169, -0.6242305575, -0.0033598476, 0.3090521852, 0.0016634371 ] - [ -0.6938372134, -0.0207357412, 0.0709580086, 0.0028685366, 0.1144419407, 0.0044412962, 0.6908510440, -0.0889715273, -0.1090577009, -0.0000000000, 0.0539937053, 0.0000000000 ] - [ 0.0105478061, -0.0007572984, -0.5689297898, 0.0408473211, 0.4167054928, -0.0299181083, -0.0000000000, 0.0000000000, 0.3129321827, -0.0224675199, 0.6320674637, -0.0453804021 ] - [ 0.1339377744, -0.0104304007, 0.4108725603, -0.0281222745, 0.5575757789, -0.0381314433, 0.1194002776, -0.0235048092, 0.6228684734, -0.0413514483, -0.3083778269, 0.0204728130 ] - [ -0.6935407466, 0.0290048688, 0.0709812492, -0.0022203039, 0.1144661669, -0.0037655726, -0.6827058396, 0.1382166207, 0.1087776990, -0.0078098874, -0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.01057495690886, 0.00000000000000 ] - [ 0.13434084008251, -0.00081201095069 ] - [ -0.69383721336404, -0.02073574116680 ] - # atom 2 - [ 0.01054780606349, -0.00075729840303 ] - [ 0.13393777442382, -0.01043040067552 ] - [ -0.69354074660326, 0.02900486875536 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.57039425783802, 0.00000000000000 ] - [ 0.41183156338526, 0.00137351257336 ] - [ 0.07095800860927, 0.00286853664545 ] - # atom 2 - [ -0.56892978980968, 0.04084732110803 ] - [ 0.41087256030801, -0.02812227450037 ] - [ 0.07098124920526, -0.00222030392959 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.41777812402253, 0.00000000000000 ] - [ 0.55887490735116, 0.00189581651164 ] - [ 0.11444194069111, 0.00444129621342 ] - # atom 2 - [ 0.41670549277289, -0.02991810830730 ] - [ 0.55757577890156, -0.03813144331562 ] - [ 0.11446616689804, -0.00376557258236 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12077695802554, 0.01489391689380 ] - [ 0.69085104398736, -0.08897152730642 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11940027761770, -0.02350480919210 ] - [ -0.68270583959972, 0.13821662065792 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, -0.00335984759001 ] - [ -0.10905770093898, -0.00000000000000 ] - # atom 2 - [ 0.31293218266329, -0.02246751985787 ] - [ 0.62286847343343, -0.04135144826521 ] - [ 0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, 0.00166343705394 ] - [ 0.05399370533909, 0.00000000000000 ] - # atom 2 - [ 0.63206746373020, -0.04538040214340 ] - [ -0.30837782687526, 0.02047281295821 ] - [ -0.05385507832083, 0.00386662065666 ] - q-position: [ 0.0000000, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1374262019, 0.1324128267, 0.0000000000, 0.0000000000, -0.5553683079, 0.3938869444, 0.1088431890, 0.0655229924, 0.6887034776, 0.0977108879, 0.0000000000, 0.0000000000 ] - [ -0.6786750961, -0.0545985006, -0.0000000000, 0.0000000000, 0.1858038022, 0.0435438253, -0.6932557770, -0.0570642208, 0.1206414348, -0.0398214332, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906 ] - [ -0.0528081686, 0.1833859727, 0.0000000000, -0.0000000000, -0.2840195909, 0.6188002540, -0.1270224629, -0.0023229815, -0.6452901512, 0.2597316276, -0.0000000000, 0.0000000000 ] - [ -0.6150491244, 0.2920538596, 0.0000000000, -0.0000000000, 0.1826827255, -0.0551918423, 0.6289092246, -0.2972088236, -0.0845678307, 0.0948070902, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13742620185547, 0.13241282673186 ] - [ -0.67867509612309, -0.05459850055429 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05280816858662, 0.18338597266440 ] - [ -0.61504912443574, 0.29205385957266 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55536830788022, 0.39388694439232 ] - [ 0.18580380222491, 0.04354382526042 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28401959088522, 0.61880025400274 ] - [ 0.18268272547675, -0.05519184225889 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10884318903169, 0.06552299242642 ] - [ -0.69325577701720, -0.05706422081463 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12702246294357, -0.00232298145748 ] - [ 0.62890922462469, -0.29720882363563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68870347758990, 0.09771088793207 ] - [ 0.12064143480497, -0.03982143321503 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.64529015123371, 0.25973162761911 ] - [ -0.08456783068264, 0.09480709018176 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.2062635928, 0.0000000000, 0.6762991909, 0.0000000000, -0.0086449202, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2722499278, -0.0249735489, 0.0912713579, 0.0071186428, 0.6444822126, -0.0389594720, -0.2110793916, 0.1353106617, 0.0000000000, 0.0000000000, 0.6594778850, -0.0471745101 ] - [ -0.6103729020, 0.1007797073, 0.1826531395, -0.0295989716, -0.2740959073, 0.0890030121, 0.6341688647, -0.1869929580, -0.0000000000, -0.0000000000, 0.2451177943, 0.0527328328 ] - [ 0.0533849461, -0.1992353313, 0.1750391108, -0.6532548548, -0.0022374700, 0.0083503517, 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, 0.0000000000 ] - [ -0.0945860622, 0.2565096064, 0.0304988467, -0.0863189215, 0.1291723106, -0.6326054671, -0.0760686961, -0.2389080120, 0.0000000000, -0.0000000000, -0.1251183588, 0.6492163827 ] - [ -0.0606304096, 0.6156586574, 0.0186837000, -0.1840901623, 0.0150290671, 0.2877919903, 0.0164863475, 0.6609574235, 0.0000000000, -0.0000000000, -0.1143771585, 0.2231173466 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.20626359279065, 0.00000000000000 ] - [ -0.27224992780565, -0.02497354891009 ] - [ -0.61037290204905, 0.10077970727268 ] - # atom 2 - [ 0.05338494612528, -0.19923533129971 ] - [ -0.09458606220997, 0.25650960639119 ] - [ -0.06063040964362, 0.61565865735827 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.67629919092397, 0.00000000000000 ] - [ 0.09127135792991, 0.00711864284618 ] - [ 0.18265313952812, -0.02959897163361 ] - # atom 2 - [ 0.17503911079787, -0.65325485481205 ] - [ 0.03049884667779, -0.08631892148113 ] - [ 0.01868370002495, -0.18409016229723 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.00864492016611, 0.00000000000000 ] - [ 0.64448221259236, -0.03895947204942 ] - [ -0.27409590725815, 0.08900301213635 ] - # atom 2 - [ -0.00223746998237, 0.00835035165465 ] - [ 0.12917231061693, -0.63260546708054 ] - [ 0.01502906705726, 0.28779199031314 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.21107939160870, 0.13531066170027 ] - [ 0.63416886467820, -0.18699295799868 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.07606869613182, -0.23890801200561 ] - [ 0.01648634747604, 0.66095742345119 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65947788504711, -0.04717451008889 ] - [ 0.24511779429028, 0.05273283278885 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12511835883605, 0.64921638268801 ] - [ -0.11437715853974, 0.22311734656015 ] - q-position: [ 0.0000000, 0.1666667, 0.8333333 ] dynamical_matrix: - [ -0.0278528045, 0.0000000000, -0.0764002953, 0.0000000000, -0.7024152733, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0224243934, 0.0279710844, 0.7021301317, 0.0052879628, -0.0754800888, -0.0016842957, 0.0025533697, 0.0074432583, 0.0000000000, 0.0000000000, -0.7070373721, 0.0060193523 ] - [ -0.6853885142, -0.1678736756, -0.0118782473, -0.0317366940, 0.0284696171, 0.0101086148, 0.7070022229, -0.0092701152, -0.0000000000, -0.0000000000, 0.0023918293, -0.0074967288 ] - [ 0.0000000000, 0.0278528045, -0.0000000000, 0.0764002953, -0.0000000000, 0.7024152733, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000 ] - [ 0.0279710844, 0.0224243934, 0.0052879628, -0.7021301317, -0.0016842957, 0.0754800888, -0.0074432583, 0.0025533697, 0.0000000000, -0.0000000000, -0.0060193523, -0.7070373721 ] - [ -0.1678736756, 0.6853885142, -0.0317366940, 0.0118782473, 0.0101086148, -0.0284696171, 0.0092701152, 0.7070022229, 0.0000000000, -0.0000000000, 0.0074967288, 0.0023918293 ] band: - # 1 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.02785280445795, 0.00000000000000 ] - [ -0.02242439339124, 0.02797108435405 ] - [ -0.68538851415758, -0.16787367561886 ] - # atom 2 - [ 0.00000000000000, 0.02785280445795 ] - [ 0.02797108435405, 0.02242439339124 ] - [ -0.16787367561886, 0.68538851415758 ] - # 2 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.07640029534251, 0.00000000000000 ] - [ 0.70213013168307, 0.00528796275690 ] - [ -0.01187824731004, -0.03173669398371 ] - # atom 2 - [ -0.00000000000000, 0.07640029534251 ] - [ 0.00528796275690, -0.70213013168307 ] - [ -0.03173669398371, 0.01187824731004 ] - # 3 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.70241527329309, 0.00000000000000 ] - [ -0.07548008877524, -0.00168429574977 ] - [ 0.02846961708484, 0.01010861483822 ] - # atom 2 - [ -0.00000000000000, 0.70241527329309 ] - [ -0.00168429574977, 0.07548008877524 ] - [ 0.01010861483822, -0.02846961708484 ] - # 4 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00255336966006, 0.00744325829513 ] - [ 0.70700222289113, -0.00927011522789 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00744325829513, 0.00255336966006 ] - [ 0.00927011522789, 0.70700222289113 ] - # 5 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70703737214355, 0.00601935226340 ] - [ 0.00239182931258, -0.00749672883386 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00601935226340, -0.70703737214355 ] - [ 0.00749672883386, 0.00239182931258 ] - q-position: [ 0.0000000, 0.3333333, 0.0000000 ] dynamical_matrix: - [ -0.0147531686, 0.0000000000, -0.7068411595, 0.0000000000, 0.0125665928, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0065314480, 0.0223120972, -0.0126772118, 0.0002708139, -0.7053952985, 0.0414270240, 0.1180362066, -0.0160339440, -0.6959415338, 0.0384154674, 0.0000000000, 0.0000000000 ] - [ -0.6984103786, -0.1070737952, 0.0144199478, 0.0026182637, -0.0088451500, 0.0215666084, -0.6968647805, 0.0137783991, -0.1189051801, -0.0071548292, -0.0000000000, -0.0000000000 ] - [ -0.0144873239, 0.0027880868, -0.6941042395, 0.1335804232, 0.0123401492, -0.0023748628, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, -0.6943650748, 0.1336306210 ] - [ 0.0106303446, 0.0206757168, -0.0123975958, 0.0026617018, -0.6848554605, 0.1739877111, -0.1128791233, 0.0380517668, 0.6761411786, -0.1692438276, 0.0000000000, -0.0000000000 ] - [ -0.7060604223, 0.0268427757, 0.0146549130, -0.0001540301, -0.0046100590, 0.0228495652, 0.6817037571, -0.1452251841, 0.1181147046, -0.0154450640, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.01475316857794, 0.00000000000000 ] - [ 0.00653144799514, 0.02231209718675 ] - [ -0.69841037857601, -0.10707379520893 ] - # atom 2 - [ -0.01448732394619, 0.00278808679338 ] - [ 0.01063034463503, 0.02067571683702 ] - [ -0.70606042228264, 0.02684277573561 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.70684115949878, 0.00000000000000 ] - [ -0.01267721175075, 0.00027081390100 ] - [ 0.01441994784200, 0.00261826368250 ] - # atom 2 - [ -0.69410423951013, 0.13358042317513 ] - [ -0.01239759579377, 0.00266170180085 ] - [ 0.01465491300575, -0.00015403009750 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.01256659282901, 0.00000000000000 ] - [ -0.70539529850256, 0.04142702401522 ] - [ -0.00884515004816, 0.02156660838012 ] - # atom 2 - [ 0.01234014918571, -0.00237486281806 ] - [ -0.68485546054727, 0.17398771113750 ] - [ -0.00461005903501, 0.02284956524947 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.11803620664240, -0.01603394400152 ] - [ -0.69686478048404, 0.01377839911437 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.11287912333497, 0.03805176676451 ] - [ 0.68170375711649, -0.14522518409176 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69594153377072, 0.03841546738090 ] - [ -0.11890518011148, -0.00715482923814 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.67614117857981, -0.16924382762729 ] - [ 0.11811470457051, -0.01544506403332 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.69436507482950, 0.13363062095574 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.3333333, 0.1666667 ] dynamical_matrix: - [ 0.0105749569, 0.0000000000, -0.5703942578, 0.0000000000, 0.4177781240, 0.0000000000, 0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ 0.1343408401, -0.0008120110, 0.4118315634, 0.0013735126, 0.5588749074, 0.0018958165, -0.1207769580, 0.0148939169, -0.6242305575, -0.0033598476, 0.3090521852, 0.0016634371 ] - [ -0.6938372134, -0.0207357412, 0.0709580086, 0.0028685366, 0.1144419407, 0.0044412962, 0.6908510440, -0.0889715273, -0.1090577009, -0.0000000000, 0.0539937053, 0.0000000000 ] - [ 0.0105478061, -0.0007572984, -0.5689297898, 0.0408473211, 0.4167054928, -0.0299181083, -0.0000000000, 0.0000000000, 0.3129321827, -0.0224675199, 0.6320674637, -0.0453804021 ] - [ 0.1339377744, -0.0104304007, 0.4108725603, -0.0281222745, 0.5575757789, -0.0381314433, 0.1194002776, -0.0235048092, 0.6228684734, -0.0413514483, -0.3083778269, 0.0204728130 ] - [ -0.6935407466, 0.0290048688, 0.0709812492, -0.0022203039, 0.1144661669, -0.0037655726, -0.6827058396, 0.1382166207, 0.1087776990, -0.0078098874, -0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.01057495690886, 0.00000000000000 ] - [ 0.13434084008251, -0.00081201095069 ] - [ -0.69383721336404, -0.02073574116680 ] - # atom 2 - [ 0.01054780606349, -0.00075729840303 ] - [ 0.13393777442382, -0.01043040067552 ] - [ -0.69354074660326, 0.02900486875536 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.57039425783802, 0.00000000000000 ] - [ 0.41183156338526, 0.00137351257336 ] - [ 0.07095800860927, 0.00286853664545 ] - # atom 2 - [ -0.56892978980968, 0.04084732110803 ] - [ 0.41087256030801, -0.02812227450037 ] - [ 0.07098124920526, -0.00222030392959 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.41777812402253, 0.00000000000000 ] - [ 0.55887490735116, 0.00189581651164 ] - [ 0.11444194069111, 0.00444129621342 ] - # atom 2 - [ 0.41670549277289, -0.02991810830730 ] - [ 0.55757577890156, -0.03813144331562 ] - [ 0.11446616689804, -0.00376557258236 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12077695802554, 0.01489391689380 ] - [ 0.69085104398736, -0.08897152730642 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11940027761770, -0.02350480919210 ] - [ -0.68270583959972, 0.13821662065792 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, -0.00335984759001 ] - [ -0.10905770093898, -0.00000000000000 ] - # atom 2 - [ 0.31293218266329, -0.02246751985787 ] - [ 0.62286847343343, -0.04135144826521 ] - [ 0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, 0.00166343705394 ] - [ 0.05399370533909, 0.00000000000000 ] - # atom 2 - [ 0.63206746373020, -0.04538040214340 ] - [ -0.30837782687526, 0.02047281295821 ] - [ -0.05385507832083, 0.00386662065666 ] - q-position: [ 0.0000000, 0.3333333, 0.3333333 ] dynamical_matrix: - [ 0.2713684400, 0.0000000000, 0.0156691170, 0.0000000000, 0.6527738112, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.6498977857, 0.0000000000, -0.0748835679, 0.0000000000, -0.2683753330, 0.0000000000, 0.2364001912, 0.0000000000, -0.6664194997, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0631825754, 0.0000000000, 0.7029558521, 0.0000000000, -0.0431396817, 0.0000000000, -0.6664194997, 0.0000000000, -0.2364001912, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.2713684400, 0.0000000000, 0.0156691170, 0.0000000000, 0.6527738112, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.6498977857, 0.0000000000, -0.0748835679, 0.0000000000, -0.2683753330, 0.0000000000, -0.2364001912, 0.0000000000, 0.6664194997, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0631825754, 0.0000000000, 0.7029558521, 0.0000000000, -0.0431396817, 0.0000000000, 0.6664194997, 0.0000000000, 0.2364001912, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.27136844003695, 0.00000000000000 ] - [ 0.64989778574873, 0.00000000000000 ] - [ 0.06318257537340, 0.00000000000000 ] - # atom 2 - [ 0.27136844003695, 0.00000000000000 ] - [ 0.64989778574873, 0.00000000000000 ] - [ 0.06318257537340, 0.00000000000000 ] - # 2 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.01566911700673, 0.00000000000000 ] - [ -0.07488356787333, 0.00000000000000 ] - [ 0.70295585212358, 0.00000000000000 ] - # atom 2 - [ 0.01566911700673, 0.00000000000000 ] - [ -0.07488356787333, 0.00000000000000 ] - [ 0.70295585212358, 0.00000000000000 ] - # 3 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.65277381115065, 0.00000000000000 ] - [ -0.26837533296013, 0.00000000000000 ] - [ -0.04313968166775, 0.00000000000000 ] - # atom 2 - [ 0.65277381115065, 0.00000000000000 ] - [ -0.26837533296013, 0.00000000000000 ] - [ -0.04313968166775, 0.00000000000000 ] - # 4 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.23640019122568, 0.00000000000000 ] - [ -0.66641949970605, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.23640019122568, 0.00000000000000 ] - [ 0.66641949970605, 0.00000000000000 ] - # 5 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66641949970605, 0.00000000000000 ] - [ -0.23640019122568, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66641949970605, 0.00000000000000 ] - [ 0.23640019122568, 0.00000000000000 ] - # 6 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.3333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.0287909939, -0.0270260325, 0.0000000000, 0.0000000000, -0.7058965495, 0.0122773633, 0.0308845643, 0.0175564252, -0.7061220137, 0.0113849603, 0.0000000000, 0.0000000000 ] - [ -0.7053877206, 0.0294760220, -0.0000000000, 0.0000000000, 0.0271428842, -0.0286808577, 0.7060646558, -0.0145126660, 0.0302200914, -0.0186770034, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.6830127019, -0.1830127019 ] - [ -0.0348048165, -0.0186534852, 0.0000000000, -0.0000000000, -0.6786660924, 0.1945584932, -0.0343761355, -0.0089646911, 0.6791148450, -0.1937548525, -0.0000000000, 0.0000000000 ] - [ -0.6737232610, 0.2110394271, 0.0000000000, -0.0000000000, 0.0187948607, -0.0347286765, -0.6782499317, 0.1967611389, -0.0243564025, 0.0258621351, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02879099385932, -0.02702603247416 ] - [ -0.70538772059781, 0.02947602196910 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03480481645113, -0.01865348521068 ] - [ -0.67372326101303, 0.21103942714874 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70589654949714, 0.01227736328906 ] - [ 0.02714288419443, -0.02868085766342 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.67866609240467, 0.19455849316201 ] - [ 0.01879486065019, -0.03472867650576 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03088456426944, 0.01755642521050 ] - [ 0.70606465578598, -0.01451266596945 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03437613546994, -0.00896469109550 ] - [ -0.67824993170537, 0.19676113885972 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70612201374989, 0.01138496032101 ] - [ 0.03022009135465, -0.01867700336784 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.67911484503335, -0.19375485253031 ] - [ -0.02435640253522, 0.02586213509802 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.0079408955, 0.0000000000, 0.2293803513, 0.0000000000, -0.6688210498, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1668412374, 0.1197063436, 0.6404663978, -0.0154826638, 0.2176748751, -0.0038886983, -0.2049316127, -0.0096095348, -0.6765977714, 0.0112315043, 0.0000000000, 0.0000000000 ] - [ 0.6179082587, -0.2756097219, 0.1888836305, 0.0356470054, 0.0721163583, 0.0089532688, -0.6765243807, 0.0150151002, 0.2044048077, -0.0175494618, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0079408955, 0.0000000000, -0.2293803513, -0.0000000000, 0.6688210498, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.1197063436, 0.1668412374, -0.0154826638, -0.6404663978, -0.0038886983, -0.2176748751, 0.0096095348, -0.2049316127, -0.0112315043, -0.6765977714, 0.0000000000, -0.0000000000 ] - [ -0.2756097219, -0.6179082587, 0.0356470054, -0.1888836305, 0.0089532688, -0.0721163583, -0.0150151002, -0.6765243807, 0.0175494618, 0.2044048077, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.00794089553789, 0.00000000000000 ] - [ -0.16684123737984, 0.11970634363579 ] - [ 0.61790825870587, -0.27560972189684 ] - # atom 2 - [ 0.00000000000000, -0.00794089553789 ] - [ 0.11970634363579, 0.16684123737984 ] - [ -0.27560972189684, -0.61790825870587 ] - # 2 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.22938035129723, 0.00000000000000 ] - [ 0.64046639778641, -0.01548266384872 ] - [ 0.18888363050216, 0.03564700539641 ] - # atom 2 - [ 0.00000000000000, -0.22938035129723 ] - [ -0.01548266384872, -0.64046639778641 ] - [ 0.03564700539641, -0.18888363050216 ] - # 3 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.66882104977103, 0.00000000000000 ] - [ 0.21767487511153, -0.00388869833492 ] - [ 0.07211635828414, 0.00895326875816 ] - # atom 2 - [ -0.00000000000000, 0.66882104977103 ] - [ -0.00388869833492, -0.21767487511153 ] - [ 0.00895326875816, -0.07211635828414 ] - # 4 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.20493161266378, -0.00960953477308 ] - [ -0.67652438074127, 0.01501510023630 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00960953477308, -0.20493161266378 ] - [ -0.01501510023630, -0.67652438074127 ] - # 5 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67659777141415, 0.01123150434599 ] - [ 0.20440480771630, -0.01754946181495 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01123150434599, -0.67659777141415 ] - [ 0.01754946181495, 0.20440480771630 ] - # 6 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.0279680385, 0.0000000000, 0.1701728400, 0.0000000000, -0.6857543243, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2372580850, -0.1486079364, 0.6209215429, 0.0946541658, 0.1637607255, 0.0174279553, -0.2293392338, 0.0231337804, -0.6684782075, -0.0022869560, 0.0000000000, 0.0000000000 ] - [ 0.3990405689, 0.5114769746, 0.0085784445, -0.2765224065, 0.0184033841, -0.0477599548, 0.6674230157, -0.0376146530, -0.2302413738, -0.0109802438, -0.0000000000, 0.0000000000 ] - [ -0.0072386610, -0.0270150507, -0.0440439720, -0.1643743411, 0.1774862794, 0.6623878124, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.1830127019, 0.6830127019 ] - [ -0.2049511547, -0.1907111477, -0.0692774175, -0.6242624552, -0.0255502824, -0.1626914008, -0.0817028775, -0.2155372259, -0.1708058615, -0.6462922727, -0.0000000000, -0.0000000000 ] - [ 0.3907695203, -0.5178235734, -0.2693203988, 0.0632831241, -0.0508957201, -0.0054151181, 0.2090747524, 0.6349457394, -0.0489847514, -0.2252379854, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.02796803850131, 0.00000000000000 ] - [ 0.23725808504831, -0.14860793635218 ] - [ 0.39904056890652, 0.51147697457608 ] - # atom 2 - [ -0.00723866101827, -0.02701505069907 ] - [ -0.20495115472895, -0.19071114766294 ] - [ 0.39076952029423, -0.51782357339519 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.17017284003635, 0.00000000000000 ] - [ 0.62092154286153, 0.09465416583231 ] - [ 0.00857844449562, -0.27652240651536 ] - # atom 2 - [ -0.04404397196042, -0.16437434112411 ] - [ -0.06927741746308, -0.62426245516497 ] - [ -0.26932039881368, 0.06328312411576 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.68575432432931, 0.00000000000000 ] - [ 0.16376072546930, 0.01742795533538 ] - [ 0.01840338414201, -0.04775995479862 ] - # atom 2 - [ 0.17748627939714, 0.66238781235928 ] - [ -0.02555028243323, -0.16269140082065 ] - [ -0.05089572011267, -0.00541511813882 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22933923379034, 0.02313378044994 ] - [ 0.66742301573204, -0.03761465296529 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08170287749023, -0.21553722593386 ] - [ 0.20907475235662, 0.63494573939319 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66847820748229, -0.00228695601617 ] - [ -0.23024137377703, -0.01098024383683 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.17080586145213, -0.64629227269104 ] - [ -0.04898475140288, -0.22523798543640 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189150, 0.68301270189241 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0073310265, 0.0000000000, 0.4332200804, -0.0000000000, 0.5588082122, 0.0000000000, 0.0302675247, 0.0000000000, 0.6829690117, 0.0000000000, -0.1806577039, 0.0000000000 ] - [ 0.0807432337, -0.0004332786, 0.5546695359, 0.0000187172, -0.4310708155, -0.0000088265, -0.1031625769, 0.0317255612, -0.1743850562, -0.0052203085, -0.6765394595, -0.0144198376 ] - [ -0.7024143773, 0.0063750325, 0.0682787791, -0.0002753954, -0.0437186127, 0.0001298680, 0.6908850143, 0.1005621472, -0.0533115717, -0.0165470811, -0.0857908180, -0.0457073027 ] - [ 0.0051838185, -0.0051838185, 0.3063328566, -0.3063328566, 0.3951370762, -0.3951370762, -0.0214023720, 0.0214023720, -0.4829320195, 0.4829320195, 0.1277442875, -0.1277442875 ] - [ 0.0567877139, -0.0574004623, 0.3922238252, -0.3921973551, -0.3048193381, 0.3048068556, 0.0505135982, -0.0953803171, 0.1270001713, -0.1196175402, 0.4885820045, -0.4681892747 ] - [ -0.4921741407, 0.5011897981, 0.0480856537, -0.0484751217, -0.0308218969, 0.0310055580, -0.5596376549, 0.4174213024, 0.0493975271, -0.0259964206, 0.0929832129, -0.0283433255 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00733102646435, 0.00000000000000 ] - [ 0.08074323374621, -0.00043327857835 ] - [ -0.70241437733420, 0.00637503247568 ] - # atom 2 - [ 0.00518381852600, -0.00518381852600 ] - [ 0.05678771389598, -0.05740046233777 ] - [ -0.49217414072210, 0.50118979810977 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.43322008040846, -0.00000000000000 ] - [ 0.55466953590758, 0.00001871722931 ] - [ 0.06827877908966, -0.00027539543999 ] - # atom 2 - [ 0.30633285660301, -0.30633285660301 ] - [ 0.39222382523761, -0.39219735507807 ] - [ 0.04808565372231, -0.04847512168856 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.55880821216394, 0.00000000000000 ] - [ -0.43107081550682, -0.00000882646811 ] - [ -0.04371861265895, 0.00012986799637 ] - # atom 2 - [ 0.39513707620386, -0.39513707620386 ] - [ -0.30481933807194, 0.30480685556103 ] - [ -0.03082189693432, 0.03100555801610 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.03026752472562, 0.00000000000000 ] - [ -0.10316257689017, 0.03172556116169 ] - [ 0.69088501430110, 0.10056214724987 ] - # atom 2 - [ -0.02140237198322, 0.02140237198322 ] - [ 0.05051359824934, -0.09538031711810 ] - [ -0.55963765488354, 0.41742130238141 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.68296901172083, 0.00000000000000 ] - [ -0.17438505622487, -0.00522030851853 ] - [ -0.05331157172792, -0.01654708111403 ] - # atom 2 - [ -0.48293201952807, 0.48293201952807 ] - [ 0.12700017134755, -0.11961754024086 ] - [ 0.04939752714910, -0.02599642061995 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.18065770389347, 0.00000000000000 ] - [ -0.67653945954964, -0.01441983755324 ] - [ -0.08579081804626, -0.04570730270010 ] - # atom 2 - [ 0.12774428749666, -0.12774428749666 ] - [ 0.48858200450533, -0.46818927467033 ] - [ 0.09298321289304, -0.02834332551506 ] - q-position: [ 0.0000000, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1374262019, 0.1324128267, 0.0000000000, 0.0000000000, -0.5553683079, 0.3938869444, 0.1088431890, 0.0655229924, 0.6887034776, 0.0977108879, 0.0000000000, 0.0000000000 ] - [ -0.6786750961, -0.0545985006, -0.0000000000, 0.0000000000, 0.1858038022, 0.0435438253, -0.6932557770, -0.0570642208, 0.1206414348, -0.0398214332, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906 ] - [ -0.0528081686, 0.1833859727, 0.0000000000, -0.0000000000, -0.2840195909, 0.6188002540, -0.1270224629, -0.0023229815, -0.6452901512, 0.2597316276, -0.0000000000, 0.0000000000 ] - [ -0.6150491244, 0.2920538596, 0.0000000000, -0.0000000000, 0.1826827255, -0.0551918423, 0.6289092246, -0.2972088236, -0.0845678307, 0.0948070902, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13742620185547, 0.13241282673186 ] - [ -0.67867509612309, -0.05459850055429 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05280816858662, 0.18338597266440 ] - [ -0.61504912443574, 0.29205385957266 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55536830788022, 0.39388694439232 ] - [ 0.18580380222491, 0.04354382526042 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28401959088522, 0.61880025400274 ] - [ 0.18268272547675, -0.05519184225889 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10884318903169, 0.06552299242642 ] - [ -0.69325577701720, -0.05706422081463 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12702246294357, -0.00232298145748 ] - [ 0.62890922462469, -0.29720882363563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68870347758990, 0.09771088793207 ] - [ 0.12064143480497, -0.03982143321503 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.64529015123371, 0.25973162761911 ] - [ -0.08456783068264, 0.09480709018176 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.5000000, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.0287909939, -0.0270260325, 0.0000000000, 0.0000000000, -0.7058965495, 0.0122773633, 0.0308845643, 0.0175564252, -0.7061220137, 0.0113849603, 0.0000000000, 0.0000000000 ] - [ -0.7053877206, 0.0294760220, -0.0000000000, 0.0000000000, 0.0271428842, -0.0286808577, 0.7060646558, -0.0145126660, 0.0302200914, -0.0186770034, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.6830127019, -0.1830127019 ] - [ -0.0348048165, -0.0186534852, 0.0000000000, -0.0000000000, -0.6786660924, 0.1945584932, -0.0343761355, -0.0089646911, 0.6791148450, -0.1937548525, -0.0000000000, 0.0000000000 ] - [ -0.6737232610, 0.2110394271, 0.0000000000, -0.0000000000, 0.0187948607, -0.0347286765, -0.6782499317, 0.1967611389, -0.0243564025, 0.0258621351, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02879099385932, -0.02702603247416 ] - [ -0.70538772059781, 0.02947602196910 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03480481645113, -0.01865348521068 ] - [ -0.67372326101303, 0.21103942714874 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70589654949714, 0.01227736328906 ] - [ 0.02714288419443, -0.02868085766342 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.67866609240467, 0.19455849316201 ] - [ 0.01879486065019, -0.03472867650576 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03088456426944, 0.01755642521050 ] - [ 0.70606465578598, -0.01451266596945 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03437613546994, -0.00896469109550 ] - [ -0.67824993170537, 0.19676113885972 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70612201374989, 0.01138496032101 ] - [ 0.03022009135465, -0.01867700336784 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.67911484503335, -0.19375485253031 ] - [ -0.02435640253522, 0.02586213509802 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0745988822, 0.0000000000, 0.1030344108, 0.0000000000, 0.4618685827, 0.0000000000, 0.0000000000, 0.0000000000, -0.2076847890, 0.0000000000, -0.8528560006, 0.0000000000 ] - [ -0.4709626250, 0.0000000000, -0.7487737428, 0.0000000000, 0.3279593598, 0.0000000000, 0.0000000000, 0.0000000000, 0.3298387101, 0.0000000000, -0.0343681759, 0.0000000000 ] - [ 0.0703214662, 0.0000000000, 0.1472735055, 0.0000000000, 0.7855634035, 0.0000000000, 0.0000000000, 0.0000000000, -0.2921148334, 0.0000000000, 0.5205040530, 0.0000000000 ] - [ 0.5807674915, 0.0000000000, 0.0771271010, 0.0000000000, 0.2270441102, 0.0000000000, 0.0000000000, 0.0000000000, 0.7779273742, 0.0000000000, -0.0063642515, 0.0000000000 ] - [ -0.6560436150, 0.0000000000, 0.6333117062, 0.0000000000, 0.1022799187, 0.0000000000, 0.0000000000, 0.0000000000, 0.3969526148, 0.0000000000, -0.0221471863, 0.0000000000 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07459888217525, 0.00000000000000 ] - [ -0.47096262503207, 0.00000000000000 ] - # atom 2 - [ 0.07032146622914, 0.00000000000000 ] - [ 0.58076749149220, 0.00000000000000 ] - [ -0.65604361502445, 0.00000000000000 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10303441082634, 0.00000000000000 ] - [ -0.74877374278907, 0.00000000000000 ] - # atom 2 - [ 0.14727350547113, 0.00000000000000 ] - [ 0.07712710100913, 0.00000000000000 ] - [ 0.63331170616963, 0.00000000000000 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.46186858265637, 0.00000000000000 ] - [ 0.32795935984174, 0.00000000000000 ] - # atom 2 - [ 0.78556340349723, 0.00000000000000 ] - [ 0.22704411015854, 0.00000000000000 ] - [ 0.10227991872973, 0.00000000000000 ] - # 4 frequency: 911.3759468011 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 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.20768478898404, 0.00000000000000 ] - [ 0.32983871014792, 0.00000000000000 ] - # atom 2 - [ -0.29211483337181, 0.00000000000000 ] - [ 0.77792737415556, 0.00000000000000 ] - [ 0.39695261477438, 0.00000000000000 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.85285600059068, 0.00000000000000 ] - [ -0.03436817587114, 0.00000000000000 ] - # atom 2 - [ 0.52050405299444, 0.00000000000000 ] - [ -0.00636425153013, 0.00000000000000 ] - [ -0.02214718633568, 0.00000000000000 ] - q-position: [ 0.0000000, 0.5000000, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1403976499, 0.0345695123, -0.6915350794, -0.0295412019, 0.0000000000, 0.0000000000, 0.3944232397, -0.0334881255, 0.5856927223, -0.0165193375, 0.0000000000, 0.0000000000 ] - [ -0.6912547643, -0.0355006972, 0.1365328812, 0.0475954162, -0.0000000000, 0.0000000000, -0.5854581484, 0.0234010656, 0.3957880871, 0.0065526080, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019 ] - [ 0.1445609642, 0.0029460010, 0.6603257673, 0.2075170588, -0.0000000000, -0.0000000000, 0.3896509584, 0.0697372010, 0.5700112459, 0.1356319764, 0.0000000000, 0.0000000000 ] - [ 0.6585125728, 0.2132009383, -0.1195620359, -0.0813109517, -0.0000000000, -0.0000000000, -0.5715657872, -0.1289240253, 0.3806059953, 0.1087668281, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14039764994059, 0.03456951229631 ] - [ -0.69125476432761, -0.03550069724858 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14456096419010, 0.00294600096311 ] - [ 0.65851257284694, 0.21320093834986 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69153507944275, -0.02954120191977 ] - [ 0.13653288117532, 0.04759541624161 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66032576734645, 0.20751705879054 ] - [ -0.11956203588195, -0.08131095169170 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.39442323971003, -0.03348812545872 ] - [ -0.58545814842602, 0.02340106560568 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.38965095837798, 0.06973720101361 ] - [ -0.57156578723045, -0.12892402529220 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.58569272226884, -0.01651933749335 ] - [ 0.39578808711004, 0.00655260802076 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.57001124586471, 0.13563197638340 ] - [ 0.38060599532621, 0.10876682808577 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2253290056, 0.0943313295, 0.0000000000, 0.0000000000, -0.5847239474, -0.3137297322, 0.0575181214, -0.0248448586, 0.0000000000, 0.0000000000, 0.6924309921, 0.1288942195 ] - [ -0.5865546148, -0.3102936083, -0.0000000000, 0.0000000000, 0.0474017352, 0.2396343798, -0.7032613053, 0.0387031676, 0.0000000000, 0.0000000000, 0.0538420951, 0.0320410688 ] - [ 0.0000000000, -0.0000000000, 0.6123724357, 0.3535533906, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000 ] - [ 0.2423063078, 0.0309711751, -0.0000000000, -0.0000000000, 0.3495209266, 0.5640598917, 0.0622345837, 0.0072427820, 0.0000000000, 0.0000000000, 0.5352157198, 0.4578411646 ] - [ 0.3528243930, 0.5619994548, -0.0000000000, -0.0000000000, 0.0787660831, -0.2312303282, -0.6283937397, -0.3181127263, 0.0000000000, 0.0000000000, 0.0306080878, 0.0546694271 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22532900564070, 0.09433132945163 ] - [ -0.58655461482132, -0.31029360826912 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.24230630782016, 0.03097117514235 ] - [ 0.35282439300800, 0.56199945480347 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, 0.35355339059295 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58472394739072, -0.31372973217194 ] - [ 0.04740173519804, 0.23963437983594 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.34952092655580, 0.56405989167856 ] - [ 0.07876608305288, -0.23123032815711 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.05751812143813, -0.02484485861575 ] - [ -0.70326130529282, 0.03870316762788 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.06223458365126, 0.00724278200436 ] - [ -0.62839373969629, -0.31811272627341 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, -0.35355339059295 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69243099214329, 0.12889421952146 ] - [ 0.05384209511239, 0.03204106876052 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.53521571980327, 0.45784116457792 ] - [ 0.03060808778008, 0.05466942706720 ] - q-position: [ 0.0000000, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.0327811518, 0.0000000000, 0.6608473798, 0.0000000000, 0.2494115808, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0276174037, 0.0925260960, 0.2459634456, 0.0052439273, -0.6553409763, -0.0260555167, -0.0965664812, -0.0175292354, 0.6999701180, 0.0202354777, 0.0000000000, 0.0000000000 ] - [ 0.5541492164, -0.4272238788, -0.0130247837, 0.0508486009, -0.0383232222, -0.0785780426, -0.7000538326, 0.0170959665, -0.0966441272, 0.0170959665, -0.0000000000, -0.0000000000 ] - [ 0.0061950554, -0.0321904520, 0.1248884158, -0.6489392445, 0.0471343583, -0.2449173103, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.1336306210, 0.6943650748 ] - [ 0.0960780213, -0.0096339635, 0.0516321564, -0.2405402997, -0.1494338128, 0.6386080338, 0.0354627171, -0.0915136880, -0.1521527630, 0.6835328648, 0.0000000000, -0.0000000000 ] - [ -0.3148011625, -0.6249014520, 0.0474708821, 0.0223995660, -0.0844045143, 0.0227828029, 0.1155098331, -0.6906700508, 0.0014761175, -0.0981334829, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.03278115180908, 0.00000000000000 ] - [ 0.02761740367620, 0.09252609601022 ] - [ 0.55414921638760, -0.42722387882042 ] - # atom 2 - [ 0.00619505538406, -0.03219045204278 ] - [ 0.09607802129722, -0.00963396347908 ] - [ -0.31480116245605, -0.62490145204959 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.66084737984671, 0.00000000000000 ] - [ 0.24596344560832, 0.00524392727839 ] - [ -0.01302478367686, 0.05084860087644 ] - # atom 2 - [ 0.12488841583121, -0.64893924449168 ] - [ 0.05163215641187, -0.24054029968610 ] - [ 0.04747088207197, 0.02239956598307 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.24941158079731, 0.00000000000000 ] - [ -0.65534097634242, -0.02605551667197 ] - [ -0.03832322216478, -0.07857804263675 ] - # atom 2 - [ 0.04713435834906, -0.24491731032908 ] - [ -0.14943381282912, 0.63860803377802 ] - [ -0.08440451430855, 0.02278280285771 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.09656648124862, -0.01752923542775 ] - [ -0.70005383259686, 0.01709596651341 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03546271707390, -0.09151368800981 ] - [ 0.11550983310886, -0.69067005079107 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69997011796849, 0.02023547765073 ] - [ -0.09664412721109, 0.01709596651341 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.15215276296350, 0.68353286484788 ] - [ 0.00147611745687, -0.09813348293357 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.13363062095574, 0.69436507482950 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.2062635928, 0.0000000000, 0.6762991909, 0.0000000000, -0.0086449202, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2722499278, -0.0249735489, 0.0912713579, 0.0071186428, 0.6444822126, -0.0389594720, -0.2110793916, 0.1353106617, 0.0000000000, 0.0000000000, 0.6594778850, -0.0471745101 ] - [ -0.6103729020, 0.1007797073, 0.1826531395, -0.0295989716, -0.2740959073, 0.0890030121, 0.6341688647, -0.1869929580, -0.0000000000, -0.0000000000, 0.2451177943, 0.0527328328 ] - [ 0.0533849461, -0.1992353313, 0.1750391108, -0.6532548548, -0.0022374700, 0.0083503517, 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, 0.0000000000 ] - [ -0.0945860622, 0.2565096064, 0.0304988467, -0.0863189215, 0.1291723106, -0.6326054671, -0.0760686961, -0.2389080120, 0.0000000000, -0.0000000000, -0.1251183588, 0.6492163827 ] - [ -0.0606304096, 0.6156586574, 0.0186837000, -0.1840901623, 0.0150290671, 0.2877919903, 0.0164863475, 0.6609574235, 0.0000000000, -0.0000000000, -0.1143771585, 0.2231173466 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.20626359279065, 0.00000000000000 ] - [ -0.27224992780565, -0.02497354891009 ] - [ -0.61037290204905, 0.10077970727268 ] - # atom 2 - [ 0.05338494612528, -0.19923533129971 ] - [ -0.09458606220997, 0.25650960639119 ] - [ -0.06063040964362, 0.61565865735827 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.67629919092397, 0.00000000000000 ] - [ 0.09127135792991, 0.00711864284618 ] - [ 0.18265313952812, -0.02959897163361 ] - # atom 2 - [ 0.17503911079787, -0.65325485481205 ] - [ 0.03049884667779, -0.08631892148113 ] - [ 0.01868370002495, -0.18409016229723 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.00864492016611, 0.00000000000000 ] - [ 0.64448221259236, -0.03895947204942 ] - [ -0.27409590725815, 0.08900301213635 ] - # atom 2 - [ -0.00223746998237, 0.00835035165465 ] - [ 0.12917231061693, -0.63260546708054 ] - [ 0.01502906705726, 0.28779199031314 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.21107939160870, 0.13531066170027 ] - [ 0.63416886467820, -0.18699295799868 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.07606869613182, -0.23890801200561 ] - [ 0.01648634747604, 0.66095742345119 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65947788504711, -0.04717451008889 ] - [ 0.24511779429028, 0.05273283278885 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12511835883605, 0.64921638268801 ] - [ -0.11437715853974, 0.22311734656015 ] - q-position: [ 0.0000000, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.0079408955, 0.0000000000, 0.2293803513, 0.0000000000, -0.6688210498, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1668412374, 0.1197063436, 0.6404663978, -0.0154826638, 0.2176748751, -0.0038886983, -0.2049316127, -0.0096095348, -0.6765977714, 0.0112315043, 0.0000000000, -0.0000000000 ] - [ 0.6179082587, -0.2756097219, 0.1888836305, 0.0356470054, 0.0721163583, 0.0089532688, -0.6765243807, 0.0150151002, 0.2044048077, -0.0175494618, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0079408955, 0.0000000000, -0.2293803513, -0.0000000000, 0.6688210498, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.1197063436, 0.1668412374, -0.0154826638, -0.6404663978, -0.0038886983, -0.2176748751, 0.0096095348, -0.2049316127, -0.0112315043, -0.6765977714, 0.0000000000, -0.0000000000 ] - [ -0.2756097219, -0.6179082587, 0.0356470054, -0.1888836305, 0.0089532688, -0.0721163583, -0.0150151002, -0.6765243807, 0.0175494618, 0.2044048077, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.00794089553789, 0.00000000000000 ] - [ -0.16684123737984, 0.11970634363579 ] - [ 0.61790825870587, -0.27560972189684 ] - # atom 2 - [ 0.00000000000000, -0.00794089553789 ] - [ 0.11970634363579, 0.16684123737984 ] - [ -0.27560972189684, -0.61790825870587 ] - # 2 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.22938035129723, 0.00000000000000 ] - [ 0.64046639778641, -0.01548266384872 ] - [ 0.18888363050216, 0.03564700539641 ] - # atom 2 - [ 0.00000000000000, -0.22938035129723 ] - [ -0.01548266384872, -0.64046639778641 ] - [ 0.03564700539641, -0.18888363050216 ] - # 3 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.66882104977103, 0.00000000000000 ] - [ 0.21767487511153, -0.00388869833492 ] - [ 0.07211635828414, 0.00895326875816 ] - # atom 2 - [ -0.00000000000000, 0.66882104977103 ] - [ -0.00388869833492, -0.21767487511153 ] - [ 0.00895326875816, -0.07211635828414 ] - # 4 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.20493161266378, -0.00960953477308 ] - [ -0.67652438074127, 0.01501510023630 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00960953477308, -0.20493161266378 ] - [ -0.01501510023630, -0.67652438074127 ] - # 5 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67659777141415, 0.01123150434599 ] - [ 0.20440480771630, -0.01754946181495 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01123150434599, -0.67659777141415 ] - [ 0.01754946181495, 0.20440480771630 ] - # 6 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.6666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1403976499, 0.0345695123, -0.6915350794, -0.0295412019, 0.0000000000, 0.0000000000, 0.3944232397, -0.0334881255, 0.5856927223, -0.0165193375, 0.0000000000, 0.0000000000 ] - [ -0.6912547643, -0.0355006972, 0.1365328812, 0.0475954162, -0.0000000000, 0.0000000000, -0.5854581484, 0.0234010656, 0.3957880871, 0.0065526080, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019 ] - [ 0.1445609642, 0.0029460010, 0.6603257673, 0.2075170588, -0.0000000000, -0.0000000000, 0.3896509584, 0.0697372010, 0.5700112459, 0.1356319764, 0.0000000000, 0.0000000000 ] - [ 0.6585125728, 0.2132009383, -0.1195620359, -0.0813109517, -0.0000000000, -0.0000000000, -0.5715657872, -0.1289240253, 0.3806059953, 0.1087668281, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14039764994059, 0.03456951229631 ] - [ -0.69125476432761, -0.03550069724858 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14456096419010, 0.00294600096311 ] - [ 0.65851257284694, 0.21320093834986 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69153507944275, -0.02954120191977 ] - [ 0.13653288117532, 0.04759541624161 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66032576734645, 0.20751705879054 ] - [ -0.11956203588195, -0.08131095169170 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.39442323971003, -0.03348812545872 ] - [ -0.58545814842602, 0.02340106560568 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.38965095837798, 0.06973720101361 ] - [ -0.57156578723045, -0.12892402529220 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.58569272226884, -0.01651933749335 ] - [ 0.39578808711004, 0.00655260802076 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.57001124586471, 0.13563197638340 ] - [ 0.38060599532621, 0.10876682808577 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.6666667, 0.6666667 ] dynamical_matrix: - [ -0.6989958318, 0.0000000000, -0.0652761966, 0.0000000000, -0.0845212716, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.0861887812, 0.0000000000, 0.0143712782, 0.0000000000, 0.7016872240, 0.0000000000, 0.1605471726, 0.0000000000, -0.6886396775, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0630580779, 0.0000000000, -0.7039406825, 0.0000000000, 0.0221629035, 0.0000000000, -0.6886396775, 0.0000000000, -0.1605471726, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6989958318, 0.0000000000, 0.0652761966, 0.0000000000, 0.0845212716, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0861887812, 0.0000000000, -0.0143712782, 0.0000000000, -0.7016872240, 0.0000000000, 0.1605471726, 0.0000000000, -0.6886396775, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0630580779, 0.0000000000, 0.7039406825, 0.0000000000, -0.0221629035, 0.0000000000, -0.6886396775, 0.0000000000, -0.1605471726, 0.0000000000, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.69899583175646, 0.00000000000000 ] - [ -0.08618878117847, 0.00000000000000 ] - [ 0.06305807788112, 0.00000000000000 ] - # atom 2 - [ 0.69899583175646, 0.00000000000000 ] - [ 0.08618878117847, 0.00000000000000 ] - [ -0.06305807788112, 0.00000000000000 ] - # 2 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.06527619659472, 0.00000000000000 ] - [ 0.01437127817538, 0.00000000000000 ] - [ -0.70394068253066, 0.00000000000000 ] - # atom 2 - [ 0.06527619659472, 0.00000000000000 ] - [ -0.01437127817538, 0.00000000000000 ] - [ 0.70394068253066, 0.00000000000000 ] - # 3 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.08452127155468, 0.00000000000000 ] - [ 0.70168722402690, 0.00000000000000 ] - [ 0.02216290351476, 0.00000000000000 ] - # atom 2 - [ 0.08452127155468, 0.00000000000000 ] - [ -0.70168722402690, 0.00000000000000 ] - [ -0.02216290351476, 0.00000000000000 ] - # 4 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.16054717256146, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16054717256146, 0.00000000000000 ] - [ -0.68863967746749, 0.00000000000000 ] - # 5 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - [ -0.16054717256146, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - [ -0.16054717256146, 0.00000000000000 ] - # 6 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.0000000, 0.6666667, 0.8333333 ] dynamical_matrix: - [ -0.0105749569, 0.0000000000, 0.5703942578, 0.0000000000, -0.4177781240, 0.0000000000, 0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ -0.1343408401, -0.0008120110, -0.4118315634, 0.0013735126, -0.5588749074, 0.0018958165, -0.1207769580, -0.0148939169, -0.6242305575, 0.0033598476, 0.3090521852, -0.0016634371 ] - [ 0.6938372134, -0.0207357412, -0.0709580086, 0.0028685366, -0.1144419407, 0.0044412962, 0.6908510440, 0.0889715273, -0.1090577009, 0.0000000000, 0.0539937053, -0.0000000000 ] - [ 0.0105478061, 0.0007572984, -0.5689297898, -0.0408473211, 0.4167054928, 0.0299181083, 0.0000000000, 0.0000000000, -0.3129321827, -0.0224675199, -0.6320674637, -0.0453804021 ] - [ 0.1339377744, 0.0104304007, 0.4108725603, 0.0281222745, 0.5575757789, 0.0381314433, -0.1194002776, -0.0235048092, -0.6228684734, -0.0413514483, 0.3083778269, 0.0204728130 ] - [ -0.6935407466, -0.0290048688, 0.0709812492, 0.0022203039, 0.1144661669, 0.0037655726, 0.6827058396, 0.1382166207, -0.1087776990, -0.0078098874, 0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.01057495690886, 0.00000000000000 ] - [ -0.13434084008251, -0.00081201095069 ] - [ 0.69383721336404, -0.02073574116680 ] - # atom 2 - [ 0.01054780606349, 0.00075729840303 ] - [ 0.13393777442382, 0.01043040067552 ] - [ -0.69354074660326, -0.02900486875536 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.57039425783802, 0.00000000000000 ] - [ -0.41183156338526, 0.00137351257336 ] - [ -0.07095800860927, 0.00286853664545 ] - # atom 2 - [ -0.56892978980968, -0.04084732110803 ] - [ 0.41087256030801, 0.02812227450037 ] - [ 0.07098124920526, 0.00222030392959 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.41777812402253, 0.00000000000000 ] - [ -0.55887490735116, 0.00189581651164 ] - [ -0.11444194069111, 0.00444129621342 ] - # atom 2 - [ 0.41670549277289, 0.02991810830730 ] - [ 0.55757577890156, 0.03813144331562 ] - [ 0.11446616689804, 0.00376557258236 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12077695802554, -0.01489391689380 ] - [ 0.69085104398736, 0.08897152730642 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.11940027761770, -0.02350480919210 ] - [ 0.68270583959972, 0.13821662065792 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, 0.00335984759001 ] - [ -0.10905770093898, 0.00000000000000 ] - # atom 2 - [ -0.31293218266329, -0.02246751985787 ] - [ -0.62286847343343, -0.04135144826521 ] - [ -0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, -0.00166343705394 ] - [ 0.05399370533909, -0.00000000000000 ] - # atom 2 - [ -0.63206746373020, -0.04538040214340 ] - [ 0.30837782687526, 0.02047281295821 ] - [ 0.05385507832083, 0.00386662065666 ] - q-position: [ 0.0000000, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.0590533721, -0.0000000000, 0.6880449318, 0.0000000000, -0.1520094442, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2519600606, 0.0034930350, -0.1218355192, 0.0001415893, -0.6493504611, 0.0019978711, -0.0596337934, -0.0122451943, 0.0000000000, 0.0000000000, -0.7036590634, 0.0340262899 ] - [ -0.6571744472, -0.0337397659, 0.1082240298, 0.0061495914, 0.2345553478, 0.0147276918, -0.7042883198, 0.0164872230, -0.0000000000, -0.0000000000, 0.0586029485, -0.0164872230 ] - [ 0.0011358519, -0.0590424474, 0.0132340816, -0.6879176457, -0.0029237994, 0.1519813229, 0.0000000000, -0.0000000000, -0.0136007234, 0.7069759687, 0.0000000000, -0.0000000000 ] - [ -0.0013538935, 0.2519806350, -0.0022018612, 0.1218157033, -0.0104923180, 0.6492687610, 0.0133899449, -0.0593872332, 0.0000000000, -0.0000000000, -0.0204855862, -0.7041833615 ] - [ -0.0463738327, 0.6564039103, 0.0082300702, -0.1080857255, 0.0192364816, -0.2342286786, -0.0029376607, -0.7044751493, 0.0000000000, -0.0000000000, 0.0153569846, 0.0589092278 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.05905337210312, -0.00000000000000 ] - [ -0.25196006064217, 0.00349303499455 ] - [ -0.65717444715194, -0.03373976587825 ] - # atom 2 - [ 0.00113585190018, -0.05904244741887 ] - [ -0.00135389353400, 0.25198063501900 ] - [ -0.04637383268400, 0.65640391028175 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.68804493175726, 0.00000000000000 ] - [ -0.12183551915407, 0.00014158926839 ] - [ 0.10822402983559, 0.00614959138765 ] - # atom 2 - [ 0.01323408156571, -0.68791764565387 ] - [ -0.00220186120411, 0.12181570334855 ] - [ 0.00823007016835, -0.10808572548266 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.15200944420135, 0.00000000000000 ] - [ -0.64935046106380, 0.00199787108891 ] - [ 0.23455534783202, 0.01472769175185 ] - # atom 2 - [ -0.00292379943586, 0.15198132294221 ] - [ -0.01049231795401, 0.64926876102013 ] - [ 0.01923648155787, -0.23422867859895 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.05963379338575, -0.01224519434429 ] - [ -0.70428831978007, 0.01648722303060 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.01338994493587, -0.05938723324687 ] - [ -0.00293766073631, -0.70447514934971 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.01360072342076, 0.70697596870221 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70365906339583, 0.03402628987715 ] - [ 0.05860294851663, -0.01648722303060 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02048558623518, -0.70418336153199 ] - [ 0.01535698464189, 0.05890922780696 ] - q-position: [ 0.0000000, 0.8333333, 0.1666667 ] dynamical_matrix: - [ -0.0278528045, 0.0000000000, -0.0764002953, 0.0000000000, -0.7024152733, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0224243934, 0.0279710844, 0.7021301317, 0.0052879628, -0.0754800888, -0.0016842957, 0.0025533697, 0.0074432583, 0.0000000000, 0.0000000000, -0.7070373721, 0.0060193523 ] - [ -0.6853885142, -0.1678736756, -0.0118782473, -0.0317366940, 0.0284696171, 0.0101086148, 0.7070022229, -0.0092701152, -0.0000000000, -0.0000000000, 0.0023918293, -0.0074967288 ] - [ 0.0000000000, 0.0278528045, -0.0000000000, 0.0764002953, -0.0000000000, 0.7024152733, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000 ] - [ 0.0279710844, 0.0224243934, 0.0052879628, -0.7021301317, -0.0016842957, 0.0754800888, -0.0074432583, 0.0025533697, 0.0000000000, -0.0000000000, -0.0060193523, -0.7070373721 ] - [ -0.1678736756, 0.6853885142, -0.0317366940, 0.0118782473, 0.0101086148, -0.0284696171, 0.0092701152, 0.7070022229, 0.0000000000, -0.0000000000, 0.0074967288, 0.0023918293 ] band: - # 1 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.02785280445795, 0.00000000000000 ] - [ -0.02242439339124, 0.02797108435405 ] - [ -0.68538851415758, -0.16787367561886 ] - # atom 2 - [ 0.00000000000000, 0.02785280445795 ] - [ 0.02797108435405, 0.02242439339124 ] - [ -0.16787367561886, 0.68538851415758 ] - # 2 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.07640029534251, 0.00000000000000 ] - [ 0.70213013168307, 0.00528796275690 ] - [ -0.01187824731004, -0.03173669398371 ] - # atom 2 - [ -0.00000000000000, 0.07640029534251 ] - [ 0.00528796275690, -0.70213013168307 ] - [ -0.03173669398371, 0.01187824731004 ] - # 3 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.70241527329309, 0.00000000000000 ] - [ -0.07548008877524, -0.00168429574977 ] - [ 0.02846961708484, 0.01010861483822 ] - # atom 2 - [ -0.00000000000000, 0.70241527329309 ] - [ -0.00168429574977, 0.07548008877524 ] - [ 0.01010861483822, -0.02846961708484 ] - # 4 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00255336966006, 0.00744325829513 ] - [ 0.70700222289113, -0.00927011522789 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00744325829513, 0.00255336966006 ] - [ 0.00927011522789, 0.70700222289113 ] - # 5 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70703737214355, 0.00601935226340 ] - [ 0.00239182931258, -0.00749672883386 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00601935226340, -0.70703737214355 ] - [ 0.00749672883386, 0.00239182931258 ] - q-position: [ 0.0000000, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.0279680385, 0.0000000000, 0.1701728400, 0.0000000000, -0.6857543243, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2372580850, -0.1486079364, 0.6209215429, 0.0946541658, 0.1637607255, 0.0174279553, -0.2293392338, 0.0231337804, -0.6684782075, -0.0022869560, 0.0000000000, 0.0000000000 ] - [ 0.3990405689, 0.5114769746, 0.0085784445, -0.2765224065, 0.0184033841, -0.0477599548, 0.6674230157, -0.0376146530, -0.2302413738, -0.0109802438, -0.0000000000, 0.0000000000 ] - [ -0.0072386610, -0.0270150507, -0.0440439720, -0.1643743411, 0.1774862794, 0.6623878124, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.1830127019, 0.6830127019 ] - [ -0.2049511547, -0.1907111477, -0.0692774175, -0.6242624552, -0.0255502824, -0.1626914008, -0.0817028775, -0.2155372259, -0.1708058615, -0.6462922727, -0.0000000000, -0.0000000000 ] - [ 0.3907695203, -0.5178235734, -0.2693203988, 0.0632831241, -0.0508957201, -0.0054151181, 0.2090747524, 0.6349457394, -0.0489847514, -0.2252379854, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.02796803850131, 0.00000000000000 ] - [ 0.23725808504831, -0.14860793635218 ] - [ 0.39904056890652, 0.51147697457608 ] - # atom 2 - [ -0.00723866101827, -0.02701505069907 ] - [ -0.20495115472895, -0.19071114766294 ] - [ 0.39076952029423, -0.51782357339519 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.17017284003635, 0.00000000000000 ] - [ 0.62092154286153, 0.09465416583231 ] - [ 0.00857844449562, -0.27652240651536 ] - # atom 2 - [ -0.04404397196042, -0.16437434112411 ] - [ -0.06927741746308, -0.62426245516497 ] - [ -0.26932039881368, 0.06328312411576 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.68575432432931, 0.00000000000000 ] - [ 0.16376072546930, 0.01742795533538 ] - [ 0.01840338414201, -0.04775995479862 ] - # atom 2 - [ 0.17748627939714, 0.66238781235928 ] - [ -0.02555028243323, -0.16269140082065 ] - [ -0.05089572011267, -0.00541511813882 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22933923379034, 0.02313378044994 ] - [ 0.66742301573204, -0.03761465296529 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08170287749023, -0.21553722593386 ] - [ 0.20907475235662, 0.63494573939319 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66847820748229, -0.00228695601617 ] - [ -0.23024137377703, -0.01098024383683 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.17080586145213, -0.64629227269104 ] - [ -0.04898475140288, -0.22523798543640 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189150, 0.68301270189241 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.0000000, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2253290056, 0.0943313295, 0.0000000000, 0.0000000000, -0.5847239474, -0.3137297322, 0.0575181214, -0.0248448586, 0.0000000000, 0.0000000000, 0.6924309921, 0.1288942195 ] - [ -0.5865546148, -0.3102936083, -0.0000000000, 0.0000000000, 0.0474017352, 0.2396343798, -0.7032613053, 0.0387031676, 0.0000000000, 0.0000000000, 0.0538420951, 0.0320410688 ] - [ 0.0000000000, -0.0000000000, 0.6123724357, 0.3535533906, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000 ] - [ 0.2423063078, 0.0309711751, -0.0000000000, -0.0000000000, 0.3495209266, 0.5640598917, 0.0622345837, 0.0072427820, 0.0000000000, 0.0000000000, 0.5352157198, 0.4578411646 ] - [ 0.3528243930, 0.5619994548, -0.0000000000, -0.0000000000, 0.0787660831, -0.2312303282, -0.6283937397, -0.3181127263, 0.0000000000, 0.0000000000, 0.0306080878, 0.0546694271 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22532900564070, 0.09433132945163 ] - [ -0.58655461482132, -0.31029360826912 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.24230630782016, 0.03097117514235 ] - [ 0.35282439300800, 0.56199945480347 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, 0.35355339059295 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58472394739072, -0.31372973217194 ] - [ 0.04740173519804, 0.23963437983594 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.34952092655580, 0.56405989167856 ] - [ 0.07876608305288, -0.23123032815711 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.05751812143813, -0.02484485861575 ] - [ -0.70326130529282, 0.03870316762788 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.06223458365126, 0.00724278200436 ] - [ -0.62839373969629, -0.31811272627341 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, -0.35355339059295 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69243099214329, 0.12889421952146 ] - [ 0.05384209511239, 0.03204106876052 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.53521571980327, 0.45784116457792 ] - [ 0.03060808778008, 0.05466942706720 ] - q-position: [ 0.0000000, 0.8333333, 0.6666667 ] dynamical_matrix: - [ -0.0105749569, 0.0000000000, 0.5703942578, 0.0000000000, -0.4177781240, 0.0000000000, 0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ -0.1343408401, -0.0008120110, -0.4118315634, 0.0013735126, -0.5588749074, 0.0018958165, -0.1207769580, -0.0148939169, -0.6242305575, 0.0033598476, 0.3090521852, -0.0016634371 ] - [ 0.6938372134, -0.0207357412, -0.0709580086, 0.0028685366, -0.1144419407, 0.0044412962, 0.6908510440, 0.0889715273, -0.1090577009, 0.0000000000, 0.0539937053, -0.0000000000 ] - [ 0.0105478061, 0.0007572984, -0.5689297898, -0.0408473211, 0.4167054928, 0.0299181083, 0.0000000000, 0.0000000000, -0.3129321827, -0.0224675199, -0.6320674637, -0.0453804021 ] - [ 0.1339377744, 0.0104304007, 0.4108725603, 0.0281222745, 0.5575757789, 0.0381314433, -0.1194002776, -0.0235048092, -0.6228684734, -0.0413514483, 0.3083778269, 0.0204728130 ] - [ -0.6935407466, -0.0290048688, 0.0709812492, 0.0022203039, 0.1144661669, 0.0037655726, 0.6827058396, 0.1382166207, -0.1087776990, -0.0078098874, 0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.01057495690886, 0.00000000000000 ] - [ -0.13434084008251, -0.00081201095069 ] - [ 0.69383721336404, -0.02073574116680 ] - # atom 2 - [ 0.01054780606349, 0.00075729840303 ] - [ 0.13393777442382, 0.01043040067552 ] - [ -0.69354074660326, -0.02900486875536 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.57039425783802, 0.00000000000000 ] - [ -0.41183156338526, 0.00137351257336 ] - [ -0.07095800860927, 0.00286853664545 ] - # atom 2 - [ -0.56892978980968, -0.04084732110803 ] - [ 0.41087256030801, 0.02812227450037 ] - [ 0.07098124920526, 0.00222030392959 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.41777812402253, 0.00000000000000 ] - [ -0.55887490735116, 0.00189581651164 ] - [ -0.11444194069111, 0.00444129621342 ] - # atom 2 - [ 0.41670549277289, 0.02991810830730 ] - [ 0.55757577890156, 0.03813144331562 ] - [ 0.11446616689804, 0.00376557258236 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12077695802554, -0.01489391689380 ] - [ 0.69085104398736, 0.08897152730642 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.11940027761770, -0.02350480919210 ] - [ 0.68270583959972, 0.13821662065792 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, 0.00335984759001 ] - [ -0.10905770093898, 0.00000000000000 ] - # atom 2 - [ -0.31293218266329, -0.02246751985787 ] - [ -0.62286847343343, -0.04135144826521 ] - [ -0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, -0.00166343705394 ] - [ 0.05399370533909, -0.00000000000000 ] - # atom 2 - [ -0.63206746373020, -0.04538040214340 ] - [ 0.30837782687526, 0.02047281295821 ] - [ 0.05385507832083, 0.00386662065666 ] - q-position: [ 0.0000000, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.5634589196, -0.0000000000, 0.0322464827, 0.0000000000, 0.4259978993, 0.0000000000, -0.0076402511, 0.0000000000, 0.6907374729, 0.0000000000, -0.1510740549, 0.0000000000 ] - [ -0.4230515917, 0.0000000000, -0.0561008037, 0.0000000000, 0.5638085230, 0.0000000000, -0.1739696921, 0.0000000000, 0.1446019267, 0.0000000000, 0.6699438999, 0.0000000000 ] - [ 0.0595096348, 0.0000000000, -0.7041398044, 0.0000000000, -0.0254113988, 0.0000000000, 0.6853292441, 0.0000000000, 0.0444075029, 0.0000000000, 0.1683799302, 0.0000000000 ] - [ -0.5634589196, 0.0000000000, -0.0322464827, 0.0000000000, -0.4259978993, 0.0000000000, -0.0076402511, 0.0000000000, 0.6907374729, 0.0000000000, -0.1510740549, 0.0000000000 ] - [ 0.4230515917, 0.0000000000, 0.0561008037, 0.0000000000, -0.5638085230, 0.0000000000, -0.1739696921, 0.0000000000, 0.1446019267, 0.0000000000, 0.6699438999, 0.0000000000 ] - [ -0.0595096348, 0.0000000000, 0.7041398044, 0.0000000000, 0.0254113988, 0.0000000000, 0.6853292441, 0.0000000000, 0.0444075029, 0.0000000000, 0.1683799302, 0.0000000000 ] band: - # 1 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.56345891962305, -0.00000000000000 ] - [ -0.42305159172662, 0.00000000000000 ] - [ 0.05950963480646, 0.00000000000000 ] - # atom 2 - [ -0.56345891962305, 0.00000000000000 ] - [ 0.42305159172662, 0.00000000000000 ] - [ -0.05950963480646, 0.00000000000000 ] - # 2 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.03224648272699, 0.00000000000000 ] - [ -0.05610080368274, 0.00000000000000 ] - [ -0.70413980442657, 0.00000000000000 ] - # atom 2 - [ -0.03224648272699, 0.00000000000000 ] - [ 0.05610080368274, 0.00000000000000 ] - [ 0.70413980442657, 0.00000000000000 ] - # 3 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.42599789934806, 0.00000000000000 ] - [ 0.56380852296123, 0.00000000000000 ] - [ -0.02541139876734, 0.00000000000000 ] - # atom 2 - [ -0.42599789934806, 0.00000000000000 ] - [ -0.56380852296123, 0.00000000000000 ] - [ 0.02541139876734, 0.00000000000000 ] - # 4 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00764025110686, 0.00000000000000 ] - [ -0.17396969214647, 0.00000000000000 ] - [ 0.68532924406995, 0.00000000000000 ] - # atom 2 - [ -0.00764025110686, 0.00000000000000 ] - [ -0.17396969214647, 0.00000000000000 ] - [ 0.68532924406995, 0.00000000000000 ] - # 5 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.69073747291356, 0.00000000000000 ] - [ 0.14460192667175, 0.00000000000000 ] - [ 0.04440750292241, 0.00000000000000 ] - # atom 2 - [ 0.69073747291356, 0.00000000000000 ] - [ 0.14460192667175, 0.00000000000000 ] - [ 0.04440750292241, 0.00000000000000 ] - # 6 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.15107405493998, 0.00000000000000 ] - [ 0.66994389990303, 0.00000000000000 ] - [ 0.16837993023727, 0.00000000000000 ] - # atom 2 - [ -0.15107405493998, 0.00000000000000 ] - [ 0.66994389990303, 0.00000000000000 ] - [ 0.16837993023727, 0.00000000000000 ] - q-position: [ 0.1666667, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.0785234164, -0.0000000000, -0.0660034380, 0.0000000000, -0.6996267714, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5821227467, 0.0052180018, -0.3882110795, 0.0014545003, 0.1019594099, 0.0004484295, -0.0589356465, -0.0016628227, 0.0000000000, -0.0000000000, 0.7043572103, 0.0201182728 ] - [ -0.3919238911, -0.0365460920, -0.5854059946, -0.0472589652, 0.0112397148, 0.0003566618, -0.7046444664, -0.0000223983, -0.0000000000, 0.0000000000, -0.0589590952, -0.0000223983 ] - [ 0.0785088899, -0.0015103451, -0.0659912276, 0.0012695317, -0.6994973427, 0.0134568505, 0.0000000000, 0.0000000000, -0.7069759687, 0.0136007234, 0.0000000000, -0.0000000000 ] - [ 0.5821154207, -0.0059797031, -0.3881112854, 0.0089212103, 0.1019491730, -0.0015127741, 0.0589567269, 0.0005289276, 0.0000000000, -0.0000000000, -0.7046138679, -0.0065667137 ] - [ -0.3925543259, -0.0290009386, -0.5862066908, -0.0359903318, 0.0112444956, 0.0001404075, 0.7045145403, -0.0135309683, 0.0000000000, -0.0000000000, 0.0589486188, -0.0011116444 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.07852341643896, -0.00000000000000 ] - [ 0.58212274674689, 0.00521800181782 ] - [ -0.39192389108681, -0.03654609203472 ] - # atom 2 - [ 0.07850888985902, -0.00151034510975 ] - [ 0.58211542066363, -0.00597970306338 ] - [ -0.39255432592900, -0.02900093864106 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.06600343802352, 0.00000000000000 ] - [ -0.38821107949413, 0.00145450028429 ] - [ -0.58540599464142, -0.04725896522243 ] - # atom 2 - [ -0.06599122759939, 0.00126953174437 ] - [ -0.38811128535594, 0.00892121025618 ] - [ -0.58620669082720, -0.03599033183265 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.69962677138588, 0.00000000000000 ] - [ 0.10195940993728, 0.00044842953869 ] - [ 0.01123971479557, 0.00035666184923 ] - # atom 2 - [ -0.69949734267934, 0.01345685046241 ] - [ 0.10194917301441, -0.00151277410378 ] - [ 0.01124449563524, 0.00014040751233 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05893564648799, -0.00166282271702 ] - [ -0.70464446644529, -0.00002239828420 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.05895672685935, 0.00052892757302 ] - [ 0.70451454029721, -0.01353096831198 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70697596870221, 0.01360072342076 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70435721029359, 0.02011827281584 ] - [ -0.05895909518185, -0.00002239828420 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.70461386791951, -0.00656671372629 ] - [ 0.05894861875446, -0.00111164440640 ] - q-position: [ 0.1666667, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.2371974298, 0.0000000000, -0.5523944620, 0.0000000000, -0.3722871709, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2336566985, -0.0000000000, -0.3010820969, -0.0000000000, 0.5956123892, 0.0000000000, 0.0000000000, -0.0000000000, 0.4535371489, 0.0000000000, -0.5424979765, -0.0000000000 ] - [ -0.6238124129, -0.0000000000, 0.3228156273, 0.0000000000, -0.0815361530, -0.0000000000, -0.0000000000, -0.0000000000, -0.5424979765, -0.0000000000, -0.4535371489, 0.0000000000 ] - [ -0.2371974298, 0.0000000000, -0.5523944620, 0.0000000000, -0.3722871709, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2336566985, -0.0000000000, -0.3010820969, -0.0000000000, 0.5956123892, 0.0000000000, 0.0000000000, -0.0000000000, -0.4535371489, -0.0000000000, 0.5424979765, -0.0000000000 ] - [ -0.6238124129, 0.0000000000, 0.3228156273, -0.0000000000, -0.0815361530, 0.0000000000, 0.0000000000, -0.0000000000, 0.5424979765, -0.0000000000, 0.4535371489, -0.0000000000 ] band: - # 1 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.23719742984912, 0.00000000000000 ] - [ -0.23365669849563, -0.00000000000000 ] - [ -0.62381241292643, -0.00000000000000 ] - # atom 2 - [ -0.23719742984912, 0.00000000000000 ] - [ -0.23365669849563, -0.00000000000000 ] - [ -0.62381241292643, 0.00000000000000 ] - # 2 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.55239446202598, 0.00000000000000 ] - [ -0.30108209692780, -0.00000000000000 ] - [ 0.32281562730540, 0.00000000000000 ] - # atom 2 - [ -0.55239446202598, 0.00000000000000 ] - [ -0.30108209692780, -0.00000000000000 ] - [ 0.32281562730540, -0.00000000000000 ] - # 3 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.37228717087216, 0.00000000000000 ] - [ 0.59561238919089, 0.00000000000000 ] - [ -0.08153615300175, -0.00000000000000 ] - # atom 2 - [ -0.37228717087216, 0.00000000000000 ] - [ 0.59561238919089, 0.00000000000000 ] - [ -0.08153615300175, 0.00000000000000 ] - # 4 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.45353714891162, 0.00000000000000 ] - [ -0.54249797654656, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.45353714891162, -0.00000000000000 ] - [ 0.54249797654656, -0.00000000000000 ] - # 6 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.54249797654656, -0.00000000000000 ] - [ -0.45353714891163, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.54249797654656, -0.00000000000000 ] - [ 0.45353714891162, -0.00000000000000 ] - q-position: [ 0.1666667, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.0105749569, 0.0000000000, -0.5703942578, 0.0000000000, 0.4177781240, 0.0000000000, 0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ 0.1343408401, -0.0008120110, 0.4118315634, 0.0013735126, 0.5588749074, 0.0018958165, -0.1207769580, 0.0148939169, -0.6242305575, -0.0033598476, 0.3090521852, 0.0016634371 ] - [ -0.6938372134, -0.0207357412, 0.0709580086, 0.0028685366, 0.1144419407, 0.0044412962, 0.6908510440, -0.0889715273, -0.1090577009, -0.0000000000, 0.0539937053, 0.0000000000 ] - [ 0.0105478061, -0.0007572984, -0.5689297898, 0.0408473211, 0.4167054928, -0.0299181083, -0.0000000000, 0.0000000000, 0.3129321827, -0.0224675199, 0.6320674637, -0.0453804021 ] - [ 0.1339377744, -0.0104304007, 0.4108725603, -0.0281222745, 0.5575757789, -0.0381314433, 0.1194002776, -0.0235048092, 0.6228684734, -0.0413514483, -0.3083778269, 0.0204728130 ] - [ -0.6935407466, 0.0290048688, 0.0709812492, -0.0022203039, 0.1144661669, -0.0037655726, -0.6827058396, 0.1382166207, 0.1087776990, -0.0078098874, -0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.01057495690886, 0.00000000000000 ] - [ 0.13434084008251, -0.00081201095069 ] - [ -0.69383721336404, -0.02073574116680 ] - # atom 2 - [ 0.01054780606349, -0.00075729840303 ] - [ 0.13393777442382, -0.01043040067552 ] - [ -0.69354074660326, 0.02900486875536 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.57039425783802, 0.00000000000000 ] - [ 0.41183156338526, 0.00137351257336 ] - [ 0.07095800860927, 0.00286853664545 ] - # atom 2 - [ -0.56892978980968, 0.04084732110803 ] - [ 0.41087256030801, -0.02812227450037 ] - [ 0.07098124920526, -0.00222030392959 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.41777812402253, 0.00000000000000 ] - [ 0.55887490735116, 0.00189581651164 ] - [ 0.11444194069111, 0.00444129621342 ] - # atom 2 - [ 0.41670549277289, -0.02991810830730 ] - [ 0.55757577890156, -0.03813144331562 ] - [ 0.11446616689804, -0.00376557258236 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12077695802554, 0.01489391689380 ] - [ 0.69085104398736, -0.08897152730642 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11940027761770, -0.02350480919210 ] - [ -0.68270583959972, 0.13821662065792 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, -0.00335984759001 ] - [ -0.10905770093898, -0.00000000000000 ] - # atom 2 - [ 0.31293218266329, -0.02246751985787 ] - [ 0.62286847343343, -0.04135144826521 ] - [ 0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, 0.00166343705394 ] - [ 0.05399370533909, 0.00000000000000 ] - # atom 2 - [ 0.63206746373020, -0.04538040214340 ] - [ -0.30837782687526, 0.02047281295821 ] - [ -0.05385507832083, 0.00386662065666 ] - q-position: [ 0.1666667, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1374262019, 0.1324128267, 0.0000000000, 0.0000000000, -0.5553683079, 0.3938869444, 0.1088431890, 0.0655229924, 0.6887034776, 0.0977108879, 0.0000000000, 0.0000000000 ] - [ -0.6786750961, -0.0545985006, -0.0000000000, 0.0000000000, 0.1858038022, 0.0435438253, -0.6932557770, -0.0570642208, 0.1206414348, -0.0398214332, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906 ] - [ -0.0528081686, 0.1833859727, 0.0000000000, -0.0000000000, -0.2840195909, 0.6188002540, -0.1270224629, -0.0023229815, -0.6452901512, 0.2597316276, -0.0000000000, 0.0000000000 ] - [ -0.6150491244, 0.2920538596, 0.0000000000, -0.0000000000, 0.1826827255, -0.0551918423, 0.6289092246, -0.2972088236, -0.0845678307, 0.0948070902, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13742620185547, 0.13241282673186 ] - [ -0.67867509612309, -0.05459850055429 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05280816858662, 0.18338597266440 ] - [ -0.61504912443574, 0.29205385957266 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55536830788022, 0.39388694439232 ] - [ 0.18580380222491, 0.04354382526042 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28401959088522, 0.61880025400274 ] - [ 0.18268272547675, -0.05519184225889 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10884318903169, 0.06552299242642 ] - [ -0.69325577701720, -0.05706422081463 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12702246294357, -0.00232298145748 ] - [ 0.62890922462469, -0.29720882363563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68870347758990, 0.09771088793207 ] - [ 0.12064143480497, -0.03982143321503 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.64529015123371, 0.25973162761911 ] - [ -0.08456783068264, 0.09480709018176 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.2062635928, 0.0000000000, 0.6762991909, 0.0000000000, -0.0086449202, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2722499278, -0.0249735489, 0.0912713579, 0.0071186428, 0.6444822126, -0.0389594720, -0.2110793916, 0.1353106617, 0.0000000000, 0.0000000000, 0.6594778850, -0.0471745101 ] - [ -0.6103729020, 0.1007797073, 0.1826531395, -0.0295989716, -0.2740959073, 0.0890030121, 0.6341688647, -0.1869929580, -0.0000000000, -0.0000000000, 0.2451177943, 0.0527328328 ] - [ 0.0533849461, -0.1992353313, 0.1750391108, -0.6532548548, -0.0022374700, 0.0083503517, 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, 0.0000000000 ] - [ -0.0945860622, 0.2565096064, 0.0304988467, -0.0863189215, 0.1291723106, -0.6326054671, -0.0760686961, -0.2389080120, 0.0000000000, -0.0000000000, -0.1251183588, 0.6492163827 ] - [ -0.0606304096, 0.6156586574, 0.0186837000, -0.1840901623, 0.0150290671, 0.2877919903, 0.0164863475, 0.6609574235, 0.0000000000, -0.0000000000, -0.1143771585, 0.2231173466 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.20626359279065, 0.00000000000000 ] - [ -0.27224992780565, -0.02497354891009 ] - [ -0.61037290204905, 0.10077970727268 ] - # atom 2 - [ 0.05338494612528, -0.19923533129971 ] - [ -0.09458606220997, 0.25650960639119 ] - [ -0.06063040964362, 0.61565865735827 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.67629919092397, 0.00000000000000 ] - [ 0.09127135792991, 0.00711864284618 ] - [ 0.18265313952812, -0.02959897163361 ] - # atom 2 - [ 0.17503911079787, -0.65325485481205 ] - [ 0.03049884667779, -0.08631892148113 ] - [ 0.01868370002495, -0.18409016229723 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.00864492016611, 0.00000000000000 ] - [ 0.64448221259236, -0.03895947204942 ] - [ -0.27409590725815, 0.08900301213635 ] - # atom 2 - [ -0.00223746998237, 0.00835035165465 ] - [ 0.12917231061693, -0.63260546708054 ] - [ 0.01502906705726, 0.28779199031314 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.21107939160870, 0.13531066170027 ] - [ 0.63416886467820, -0.18699295799868 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.07606869613182, -0.23890801200561 ] - [ 0.01648634747604, 0.66095742345119 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65947788504711, -0.04717451008889 ] - [ 0.24511779429028, 0.05273283278885 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12511835883605, 0.64921638268801 ] - [ -0.11437715853974, 0.22311734656015 ] - q-position: [ 0.1666667, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.0072177940, 0.0000000000, -0.0642525057, 0.0000000000, 0.7041445299, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6085389608, -0.0104564732, 0.3579909374, 0.0266192539, 0.0264285315, 0.0025361646, -0.3609609188, 0.0094752474, 0.0000000000, -0.0000000000, -0.6079602255, 0.0013412498 ] - [ 0.3543734244, 0.0627564729, -0.5843647234, -0.1597604130, -0.0569551994, -0.0152212645, 0.6078471643, -0.0118008312, -0.0000000000, 0.0000000000, -0.3610813964, -0.0016704432 ] - [ 0.0000000000, -0.0072177940, 0.0000000000, 0.0642525057, 0.0000000000, -0.7041445299, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ -0.0104564732, -0.6085389608, 0.0266192539, -0.3579909374, 0.0025361646, -0.0264285315, -0.0094752474, -0.3609609188, 0.0000000000, -0.0000000000, -0.0013412498, -0.6079602255 ] - [ 0.0627564729, -0.3543734244, -0.1597604130, 0.5843647234, -0.0152212645, 0.0569551994, 0.0118008312, 0.6078471643, 0.0000000000, -0.0000000000, 0.0016704432, -0.3610813964 ] band: - # 1 frequency: 455.6879734014 eigenvector: - # atom 1 - [ 0.00721779403451, 0.00000000000000 ] - [ 0.60853896078216, -0.01045647323641 ] - [ 0.35437342442785, 0.06275647286276 ] - # atom 2 - [ 0.00000000000000, -0.00721779403451 ] - [ -0.01045647323641, -0.60853896078216 ] - [ 0.06275647286276, -0.35437342442785 ] - # 2 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.06425250566946, 0.00000000000000 ] - [ 0.35799093744871, 0.02661925386721 ] - [ -0.58436472341866, -0.15976041301642 ] - # atom 2 - [ 0.00000000000000, 0.06425250566946 ] - [ 0.02661925386721, -0.35799093744871 ] - [ -0.15976041301642, 0.58436472341866 ] - # 3 frequency: 455.6879734014 eigenvector: - # atom 1 - [ 0.70414452988323, 0.00000000000000 ] - [ 0.02642853145536, 0.00253616460028 ] - [ -0.05695519938210, -0.01522126450422 ] - # atom 2 - [ 0.00000000000000, -0.70414452988323 ] - [ 0.00253616460028, -0.02642853145536 ] - [ -0.01522126450422, 0.05695519938210 ] - # 4 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.36096091879012, 0.00947524738675 ] - [ 0.60784716432255, -0.01180083124959 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00947524738675, -0.36096091879012 ] - [ 0.01180083124960, 0.60784716432255 ] - # 5 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.60796022554288, 0.00134124979141 ] - [ -0.36108139640032, -0.00167044318802 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00134124979141, -0.60796022554288 ] - [ 0.00167044318802, -0.36108139640032 ] - q-position: [ 0.1666667, 0.1666667, 0.0000000 ] dynamical_matrix: - [ 0.7009795893, 0.0000000000, -0.0852504845, 0.0000000000, -0.0368777750, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0857427694, -0.0000000000, -0.4859374702, -0.0000000000, -0.5064710777, -0.0000000000, -0.4535371489, -0.0000000000, -0.0000000000, -0.0000000000, -0.5424979765, -0.0000000000 ] - [ -0.0357182433, -0.0000000000, -0.5065541728, -0.0000000000, 0.4920640986, 0.0000000000, 0.5424979765, -0.0000000000, 0.0000000000, 0.0000000000, -0.4535371489, -0.0000000000 ] - [ 0.7009795893, -0.0000000000, -0.0852504845, 0.0000000000, -0.0368777750, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0857427694, -0.0000000000, -0.4859374702, -0.0000000000, -0.5064710777, -0.0000000000, 0.4535371489, -0.0000000000, -0.0000000000, -0.0000000000, 0.5424979765, -0.0000000000 ] - [ -0.0357182433, 0.0000000000, -0.5065541728, 0.0000000000, 0.4920640986, -0.0000000000, -0.5424979765, 0.0000000000, 0.0000000000, -0.0000000000, 0.4535371489, -0.0000000000 ] band: - # 1 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.70097958928667, 0.00000000000000 ] - [ -0.08574276936351, -0.00000000000000 ] - [ -0.03571824331292, -0.00000000000000 ] - # atom 2 - [ 0.70097958928667, -0.00000000000000 ] - [ -0.08574276936351, -0.00000000000000 ] - [ -0.03571824331292, 0.00000000000000 ] - # 2 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.08525048452042, 0.00000000000000 ] - [ -0.48593747018457, -0.00000000000000 ] - [ -0.50655417277884, -0.00000000000000 ] - # atom 2 - [ -0.08525048452042, 0.00000000000000 ] - [ -0.48593747018457, -0.00000000000000 ] - [ -0.50655417277884, 0.00000000000000 ] - # 3 frequency: 333.5867489280 eigenvector: - # atom 1 - [ -0.03687777504838, 0.00000000000000 ] - [ -0.50647107772557, -0.00000000000000 ] - [ 0.49206409860402, 0.00000000000000 ] - # atom 2 - [ -0.03687777504838, 0.00000000000000 ] - [ -0.50647107772557, -0.00000000000000 ] - [ 0.49206409860402, -0.00000000000000 ] - # 4 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45353714891162, -0.00000000000000 ] - [ 0.54249797654656, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.45353714891162, -0.00000000000000 ] - [ -0.54249797654656, 0.00000000000000 ] - # 5 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.54249797654656, -0.00000000000000 ] - [ -0.45353714891163, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.54249797654656, -0.00000000000000 ] - [ 0.45353714891162, -0.00000000000000 ] - q-position: [ 0.1666667, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.0934624078, 0.0000000000, 0.0840415694, 0.0000000000, 0.6958460986, -0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5606212398, -0.0140560653, 0.4120179086, -0.0098789101, -0.1250616232, 0.0030810733, -0.4566307063, 0.0034649760, 0.0000000000, 0.0000000000, 0.5398186271, -0.0084995198 ] - [ 0.4204318034, 0.0028512332, -0.5683843814, -0.0044564189, 0.0121770414, 0.0001552661, 0.5398675801, 0.0044031757, -0.0000000000, 0.0000000000, 0.4566438524, -0.0000000000 ] - [ 0.0934451176, 0.0017976866, 0.0840260220, 0.0016164831, 0.6957173693, 0.0133841318, 0.0000000000, 0.0000000000, -0.7069759687, -0.0136007234, 0.0000000000, 0.0000000000 ] - [ 0.5607878857, -0.0032702925, 0.4121317008, -0.0019521951, -0.1250977496, 0.0006750271, 0.4566128776, 0.0053186495, 0.0000000000, 0.0000000000, -0.5398822450, -0.0018851009 ] - [ 0.4202991833, 0.0109374287, -0.5681935159, -0.0153880858, 0.0121718023, 0.0003894546, -0.5396830142, -0.0147863510, 0.0000000000, 0.0000000000, -0.4565593748, -0.0087832374 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.09346240780932, 0.00000000000000 ] - [ 0.56062123982005, -0.01405606532373 ] - [ 0.42043180337132, 0.00285123318431 ] - # atom 2 - [ 0.09344511756393, 0.00179768656259 ] - [ 0.56078788565465, -0.00327029245555 ] - [ 0.42029918328460, 0.01093742872108 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.08404156937455, 0.00000000000000 ] - [ 0.41201790860920, -0.00987891007682 ] - [ -0.56838438144331, -0.00445641889460 ] - # atom 2 - [ 0.08402602195403, 0.00161648307062 ] - [ 0.41213170081085, -0.00195219511199 ] - [ -0.56819351593697, -0.01538808582119 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.69584609860482, -0.00000000000000 ] - [ -0.12506162320525, 0.00308107327230 ] - [ 0.01217704141587, 0.00015526611312 ] - # atom 2 - [ 0.69571736931061, 0.01338413176389 ] - [ -0.12509774957891, 0.00067502706276 ] - [ 0.01217180226303, 0.00038945459220 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45663070628152, 0.00346497604196 ] - [ 0.53986758012079, 0.00440317571630 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.45661287755092, 0.00531864952767 ] - [ -0.53968301422787, -0.01478635099625 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70697596870221, -0.01360072342076 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.53981862711927, -0.00849951980600 ] - [ 0.45664385244754, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.53988224495406, -0.00188510085314 ] - [ -0.45655937480091, -0.00878323741785 ] - q-position: [ 0.1666667, 0.1666667, 0.3333333 ] dynamical_matrix: - [ 0.0235132298, 0.0000000000, -0.6911376684, 0.0000000000, -0.1475664300, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2549610901, -0.0000000000, -0.1294088994, 0.0000000000, 0.6467210985, -0.0000000000, -0.1229817144, -0.0000000000, -0.6963300208, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6591221211, 0.0000000000, -0.0747131849, 0.0000000000, 0.2448999172, -0.0000000000, -0.6963300208, 0.0000000000, 0.1229817144, -0.0000000000, -0.0000000000, -0.0000000000 ] - [ 0.0235132298, 0.0000000000, -0.6911376684, -0.0000000000, -0.1475664300, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, -0.0000000000 ] - [ 0.2549610901, 0.0000000000, -0.1294088994, -0.0000000000, 0.6467210985, 0.0000000000, 0.1229817144, 0.0000000000, 0.6963300208, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6591221211, -0.0000000000, -0.0747131849, -0.0000000000, 0.2448999172, 0.0000000000, 0.6963300208, 0.0000000000, -0.1229817144, -0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.02351322983046, 0.00000000000000 ] - [ 0.25496109008605, -0.00000000000003 ] - [ -0.65912212113164, 0.00000000000006 ] - # atom 2 - [ 0.02351322983046, 0.00000000000001 ] - [ 0.25496109008605, 0.00000000000010 ] - [ -0.65912212113164, -0.00000000000029 ] - # 2 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.69113766844634, 0.00000000000000 ] - [ -0.12940889944543, 0.00000000000001 ] - [ -0.07471318490656, 0.00000000000000 ] - # atom 2 - [ -0.69113766844634, -0.00000000000036 ] - [ -0.12940889944543, -0.00000000000006 ] - [ -0.07471318490656, -0.00000000000003 ] - # 3 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.14756643004932, 0.00000000000000 ] - [ 0.64672109853201, -0.00000000000005 ] - [ 0.24489991718260, -0.00000000000001 ] - # atom 2 - [ -0.14756643004932, -0.00000000000008 ] - [ 0.64672109853201, 0.00000000000029 ] - [ 0.24489991718260, 0.00000000000012 ] - # 4 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12298171439751, -0.00000000000001 ] - [ -0.69633002084058, 0.00000000000002 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.12298171439751, 0.00000000000007 ] - [ 0.69633002084058, 0.00000000000034 ] - # 5 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69633002084058, 0.00000000000006 ] - [ 0.12298171439751, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69633002084058, 0.00000000000030 ] - [ -0.12298171439751, -0.00000000000004 ] - # 6 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, -0.00000000000037 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.1666667, 0.5000000 ] dynamical_matrix: - [ -0.0616739962, 0.0000000000, 0.7041654027, -0.0000000000, -0.0186387706, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0707634371, 0.0162694548, -0.0247957929, 0.0008762979, -0.7026255001, -0.0207279558, 0.0026036403, 0.0067733085, 0.0000000000, -0.0000000000, -0.7069030751, -0.0153422872 ] - [ -0.6981836541, -0.0588535819, -0.0592887620, -0.0045087733, 0.0703201459, 0.0244014703, -0.7070053236, -0.0095297314, -0.0000000000, 0.0000000000, -0.0028402539, 0.0066775451 ] - [ -0.0595725057, 0.0159624048, 0.6801715485, -0.1822514171, -0.0180036699, 0.0048240688, 0.0000000000, -0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, 0.0000000000 ] - [ -0.0641413867, 0.0340300118, -0.0237240941, 0.0072640622, -0.6840489065, 0.1618311931, -0.0042679847, -0.0058686419, 0.0000000000, -0.0000000000, 0.6867868130, -0.1681404675 ] - [ -0.6896260509, 0.1238550319, -0.0584355028, 0.0109899202, 0.0742396102, 0.0053698174, 0.6853811774, -0.1737814290, 0.0000000000, -0.0000000000, 0.0010151987, -0.0071851251 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.06167399616274, 0.00000000000000 ] - [ -0.07076343713887, 0.01626945483399 ] - [ -0.69818365413091, -0.05885358192520 ] - # atom 2 - [ -0.05957250570406, 0.01596240479443 ] - [ -0.06414138672498, 0.03403001183218 ] - [ -0.68962605089279, 0.12385503191646 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.70416540274825, -0.00000000000000 ] - [ -0.02479579286526, 0.00087629792472 ] - [ -0.05928876195126, -0.00450877331649 ] - # atom 2 - [ 0.68017154849396, -0.18225141713282 ] - [ -0.02372409411978, 0.00726406222893 ] - [ -0.05843550278180, 0.01098992016219 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.01863877060648, 0.00000000000000 ] - [ -0.70262550011283, -0.02072795583314 ] - [ 0.07032014587101, 0.02440147030674 ] - # atom 2 - [ -0.01800366989908, 0.00482406881023 ] - [ -0.68404890650409, 0.16183119313776 ] - [ 0.07423961024911, 0.00536981736297 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00260364032218, 0.00677330852239 ] - [ -0.70700532357772, -0.00952973144969 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00426798467350, -0.00586864192923 ] - [ 0.68538117736165, -0.17378142900521 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189241, 0.18301270189150 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70690307509101, -0.01534228717019 ] - [ -0.00284025387033, 0.00667754514914 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68678681302882, -0.16814046746234 ] - [ 0.00101519870745, -0.00718512511033 ] - q-position: [ 0.1666667, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.1038322370, -0.0684837285, -0.6706146351, -0.1865605978, 0.0000000000, 0.0000000000, 0.0446772657, 0.0186849012, 0.0000000000, 0.0000000000, 0.6856583645, 0.1659139042 ] - [ -0.6929021982, 0.0664483955, 0.1142057589, -0.0492767607, -0.0000000000, 0.0000000000, -0.7053960006, -0.0084438576, 0.0000000000, 0.0000000000, 0.0479067222, -0.0070802240 ] - [ 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, -0.3535533906, 0.6123724357, 0.0000000000, -0.0000000000, 0.3535533906, -0.6123724357, -0.0000000000, 0.0000000000 ] - [ -0.1112247671, 0.0556794907, -0.4968735346, 0.4874890113, 0.0000000000, -0.0000000000, -0.0385202320, 0.0293491965, -0.0000000000, 0.0000000000, -0.4865148381, 0.5108406099 ] - [ -0.2889051005, 0.6332951037, 0.0144279528, -0.1235434688, 0.0000000000, -0.0000000000, 0.3600105955, -0.6066689274, -0.0000000000, 0.0000000000, -0.0178217073, 0.0450285505 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.10383223697947, -0.06848372849393 ] - [ -0.69290219816853, 0.06644839553087 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.11122476711133, 0.05567949070908 ] - [ -0.28890510051348, 0.63329510371761 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67061463512173, -0.18656059781198 ] - [ 0.11420575885847, -0.04927676073112 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.49687353461099, 0.48748901125932 ] - [ 0.01442795281981, -0.12354346879549 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.35355339059295, 0.61237243569598 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.04467726574138, 0.01868490122279 ] - [ -0.70539600059881, -0.00844385761165 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.03852023199682, 0.02934919649228 ] - [ 0.36001059549672, -0.60666892744088 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.35355339059295, -0.61237243569598 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.68565836447972, 0.16591390421290 ] - [ 0.04790672224378, -0.00708022398578 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.48651483812902, 0.51084060985053 ] - [ -0.01782170728570, 0.04502855046805 ] - q-position: [ 0.1666667, 0.1666667, 0.8333333 ] dynamical_matrix: - [ -0.0609569654, 0.0000000000, -0.6405355039, 0.0000000000, -0.2932550368, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0925774390, 0.0154863335, 0.2990080096, -0.0022578343, -0.6338578474, 0.0017125815, 0.1752562495, 0.0897297449, 0.0000000000, -0.0000000000, -0.6783611233, -0.0325577383 ] - [ -0.6950705226, -0.0659606570, 0.0167515012, -0.0047715636, 0.1078905887, 0.0241329781, -0.6688943419, -0.1175337366, -0.0000000000, 0.0000000000, -0.1907069722, 0.0489594819 ] - [ -0.0043652767, 0.0608004605, -0.0458703065, 0.6388909506, -0.0210007070, 0.2925021144, -0.0000000000, 0.0000000000, -0.0506376377, 0.7052913084, 0.0000000000, -0.0000000000 ] - [ 0.0088168771, 0.0934487636, 0.0191606539, -0.2984020056, -0.0436839187, 0.6323530809, -0.1020498934, 0.1683805196, 0.0000000000, -0.0000000000, 0.0810532385, -0.6742879151 ] - [ -0.1155669971, 0.6885623493, -0.0035596970, -0.0170501956, 0.0317973252, -0.1058853619, 0.1651331245, -0.6587601013, 0.0000000000, -0.0000000000, -0.0351767896, -0.1937234462 ] band: - # 1 frequency: 530.2940797734 eigenvector: - # atom 1 - [ -0.06095696543025, 0.00000000000000 ] - [ -0.09257743898277, 0.01548633348121 ] - [ -0.69507052258040, -0.06596065700132 ] - # atom 2 - [ -0.00436527666000, 0.06080046047643 ] - [ 0.00881687710866, 0.09344876356245 ] - [ -0.11556699711938, 0.68856234925317 ] - # 2 frequency: 530.2940797734 eigenvector: - # atom 1 - [ -0.64053550389807, 0.00000000000000 ] - [ 0.29900800962249, -0.00225783432004 ] - [ 0.01675150120513, -0.00477156360193 ] - # atom 2 - [ -0.04587030645855, 0.63889095058496 ] - [ 0.01916065392982, -0.29840200564875 ] - [ -0.00355969699981, -0.01705019557373 ] - # 3 frequency: 530.2940797734 eigenvector: - # atom 1 - [ -0.29325503680514, 0.00000000000000 ] - [ -0.63385784738939, 0.00171258149466 ] - [ 0.10789058866894, 0.02413297811296 ] - # atom 2 - [ -0.02100070695052, 0.29250211438409 ] - [ -0.04368391872355, 0.63235308086340 ] - [ 0.03179732515891, -0.10588536191877 ] - # 4 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.17525624953760, 0.08972974489585 ] - [ -0.66889434191459, -0.11753373657628 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.10204989339314, 0.16838051959626 ] - [ 0.16513312454241, -0.65876010129470 ] - # 5 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063763765561, 0.70529130836319 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67836112326451, -0.03255773828524 ] - [ -0.19070697223143, 0.04895948185365 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.08105323851638, -0.67428791506666 ] - [ -0.03517678958382, -0.19372344616911 ] - q-position: [ 0.1666667, 0.3333333, 0.0000000 ] dynamical_matrix: - [ -0.0275703659, 0.0000000000, 0.4813591346, 0.0000000000, 0.5172361728, 0.0000000000, 0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ 0.5308940475, -0.0005179700, -0.3274491440, -0.0029607396, 0.3330346731, 0.0027277644, -0.1196397390, 0.0222538804, -0.6242305575, -0.0033598476, 0.3090521852, 0.0016634371 ] - [ -0.4648863034, -0.0356628915, -0.3998461940, -0.0344194251, 0.3473317255, 0.0301310437, 0.6841150208, -0.1310638619, -0.1090577009, -0.0000000000, 0.0539937053, 0.0000000000 ] - [ -0.0274995799, 0.0019743810, 0.4801232612, -0.0344712992, 0.5159081864, -0.0370405413, -0.0000000000, 0.0000000000, 0.3129321827, -0.0224675199, 0.6320674637, -0.0453804021 ] - [ 0.5294939018, -0.0385352551, -0.3268204551, 0.0204962922, 0.3323749596, -0.0211286625, 0.1177389135, -0.0307644372, 0.6228684734, -0.0413514483, -0.3083778269, 0.0204728130 ] - [ -0.4662466300, -0.0022796886, -0.4012844612, -0.0056970953, 0.3485977204, 0.0051804130, -0.6729727764, 0.1797185016, 0.1087776990, -0.0078098874, -0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.02757036593017, 0.00000000000000 ] - [ 0.53089404750538, -0.00051797001579 ] - [ -0.46488630343369, -0.03566289153513 ] - # atom 2 - [ -0.02749957994507, 0.00197438100882 ] - [ 0.52949390184193, -0.03853525505028 ] - [ -0.46624662998558, -0.00227968857004 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.48135913458405, 0.00000000000000 ] - [ -0.32744914396325, -0.00296073960578 ] - [ -0.39984619401009, -0.03441942513840 ] - # atom 2 - [ 0.48012326123318, -0.03447129922584 ] - [ -0.32682045509425, 0.02049629218347 ] - [ -0.40128446119516, -0.00569709527078 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.51723617282144, 0.00000000000000 ] - [ 0.33303467307530, 0.00272776442489 ] - [ 0.34733172553238, 0.03013104370241 ] - # atom 2 - [ 0.51590818638436, -0.03704054125651 ] - [ 0.33237495962885, -0.02112866254298 ] - [ 0.34859772041265, 0.00518041301421 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.11963973903910, 0.02225388040316 ] - [ 0.68411502084347, -0.13106386193757 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11773891350208, -0.03076443722372 ] - [ -0.67297277643511, 0.17971850162649 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, -0.00335984759001 ] - [ -0.10905770093898, -0.00000000000000 ] - # atom 2 - [ 0.31293218266329, -0.02246751985787 ] - [ 0.62286847343343, -0.04135144826521 ] - [ 0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, 0.00166343705394 ] - [ 0.05399370533909, 0.00000000000000 ] - # atom 2 - [ 0.63206746373020, -0.04538040214340 ] - [ -0.30837782687526, 0.02047281295821 ] - [ -0.05385507832083, 0.00386662065666 ] - q-position: [ 0.1666667, 0.3333333, 0.1666667 ] dynamical_matrix: - [ 0.0235132298, 0.0000000000, -0.6911376684, 0.0000000000, -0.1475664300, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2549610901, -0.0000000000, -0.1294088994, 0.0000000000, 0.6467210985, -0.0000000000, -0.1229817144, -0.0000000000, -0.6963300208, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6591221211, 0.0000000000, -0.0747131849, 0.0000000000, 0.2448999172, -0.0000000000, -0.6963300208, 0.0000000000, 0.1229817144, -0.0000000000, -0.0000000000, -0.0000000000 ] - [ 0.0235132298, 0.0000000000, -0.6911376684, -0.0000000000, -0.1475664300, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, -0.0000000000 ] - [ 0.2549610901, 0.0000000000, -0.1294088994, -0.0000000000, 0.6467210985, 0.0000000000, 0.1229817144, 0.0000000000, 0.6963300208, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6591221211, -0.0000000000, -0.0747131849, -0.0000000000, 0.2448999172, 0.0000000000, 0.6963300208, 0.0000000000, -0.1229817144, -0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.02351322983046, 0.00000000000000 ] - [ 0.25496109008605, -0.00000000000006 ] - [ -0.65912212113164, 0.00000000000025 ] - # atom 2 - [ 0.02351322983046, 0.00000000000001 ] - [ 0.25496109008605, 0.00000000000007 ] - [ -0.65912212113164, -0.00000000000010 ] - # 2 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.69113766844634, 0.00000000000000 ] - [ -0.12940889944543, 0.00000000000001 ] - [ -0.07471318490656, 0.00000000000002 ] - # atom 2 - [ -0.69113766844634, -0.00000000000036 ] - [ -0.12940889944543, -0.00000000000006 ] - [ -0.07471318490656, -0.00000000000002 ] - # 3 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.14756643004932, 0.00000000000000 ] - [ 0.64672109853201, -0.00000000000005 ] - [ 0.24489991718260, -0.00000000000005 ] - # atom 2 - [ -0.14756643004932, -0.00000000000008 ] - [ 0.64672109853201, 0.00000000000029 ] - [ 0.24489991718260, 0.00000000000008 ] - # 4 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12298171439751, -0.00000000000001 ] - [ -0.69633002084058, 0.00000000000002 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.12298171439751, 0.00000000000008 ] - [ 0.69633002084058, 0.00000000000034 ] - # 5 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69633002084058, 0.00000000000006 ] - [ 0.12298171439751, -0.00000000000003 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69633002084058, 0.00000000000030 ] - [ -0.12298171439751, -0.00000000000004 ] - # 6 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, -0.00000000000037 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.0520829578, 0.0000000000, 0.5376326464, 0.0000000000, 0.4563315713, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1252491412, -0.0007378227, 0.4432350849, 0.0031685851, -0.5364980484, -0.0038173182, 0.4059534252, -0.0095020898, 0.5786636597, 0.0161212841, 0.0000000000, 0.0000000000 ] - [ -0.6939625371, -0.0039332979, -0.1203459363, -0.0007827369, 0.0625823075, 0.0004732680, 0.5763868290, -0.0537563972, -0.4057109304, 0.0169444423, -0.0000000000, -0.0000000000 ] - [ -0.0519492366, -0.0037297874, 0.5362522927, 0.0385011824, 0.4551599554, 0.0326790145, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7052913084, -0.0506376377 ] - [ -0.1248747310, -0.0097053242, 0.4418701837, 0.0349015931, -0.5348472403, -0.0422274484, -0.4055916212, -0.0195936194, -0.5760234759, -0.0575194064, 0.0000000000, 0.0000000000 ] - [ -0.6918991387, -0.0536195456, -0.1199808985, -0.0093989926, 0.0623877376, 0.0049537242, -0.5787566017, 0.0123419158, 0.4058827140, 0.0121530092, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.05208295779657, 0.00000000000000 ] - [ -0.12524914124903, -0.00073782271036 ] - [ -0.69396253710767, -0.00393329788754 ] - # atom 2 - [ -0.05194923655820, -0.00372978737454 ] - [ -0.12487473102106, -0.00970532422899 ] - [ -0.69189913865277, -0.05361954562233 ] - # 2 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.53763264642857, 0.00000000000000 ] - [ 0.44323508490868, 0.00316858513264 ] - [ -0.12034593633120, -0.00078273688170 ] - # atom 2 - [ 0.53625229273306, 0.03850118237563 ] - [ 0.44187018367664, 0.03490159313445 ] - [ -0.11998089850343, -0.00939899264644 ] - # 3 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.45633157133971, 0.00000000000000 ] - [ -0.53649804835643, -0.00381731817123 ] - [ 0.06258230746614, 0.00047326796314 ] - # atom 2 - [ 0.45515995541375, 0.03267901450668 ] - [ -0.53484724025786, -0.04222744838165 ] - [ 0.06238773763069, 0.00495372422275 ] - # 4 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.40595342519015, -0.00950208976308 ] - [ 0.57638682898046, -0.05375639724136 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.40559162123156, -0.01959361937566 ] - [ -0.57875660167392, 0.01234191579016 ] - # 5 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.57866365970571, 0.01612128414592 ] - [ -0.40571093035271, 0.01694444232846 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.57602347587091, -0.05751940639571 ] - [ 0.40588271397287, 0.01215300915407 ] - # 6 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529130836321, -0.05063763765529 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.0062595201, 0.0000000000, 0.7011603963, 0.0000000000, -0.0912957671, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.1604428850, 0.0000000000, -0.0875094259, 0.0000000000, -0.6830813868, 0.0000000000, -0.1991555017, 0.0000000000, 0.6784814560, -0.0000000000, 0.0000000000, -0.0000000000 ] - [ -0.6886355343, -0.0000000000, -0.0267618957, 0.0000000000, -0.1583189877, 0.0000000000, -0.6784814560, -0.0000000000, -0.1991555017, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0062595201, -0.0000000000, 0.7011603963, 0.0000000000, -0.0912957671, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, -0.0000000000 ] - [ 0.1604428850, 0.0000000000, -0.0875094259, 0.0000000000, -0.6830813868, 0.0000000000, 0.1991555017, 0.0000000000, -0.6784814560, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6886355343, -0.0000000000, -0.0267618957, -0.0000000000, -0.1583189877, -0.0000000000, 0.6784814560, 0.0000000000, 0.1991555017, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.00625952010268, 0.00000000000000 ] - [ 0.16044288495027, 0.00000000000000 ] - [ -0.68863553428277, -0.00000000000000 ] - # atom 2 - [ -0.00625952010268, -0.00000000000000 ] - [ 0.16044288495027, 0.00000000000000 ] - [ -0.68863553428277, -0.00000000000000 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.70116039628166, 0.00000000000000 ] - [ -0.08750942591629, 0.00000000000000 ] - [ -0.02676189570913, 0.00000000000000 ] - # atom 2 - [ 0.70116039628166, 0.00000000000000 ] - [ -0.08750942591629, 0.00000000000000 ] - [ -0.02676189570913, -0.00000000000000 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.09129576712109, 0.00000000000000 ] - [ -0.68308138683808, 0.00000000000000 ] - [ -0.15831898768352, 0.00000000000000 ] - # atom 2 - [ -0.09129576712109, -0.00000000000000 ] - [ -0.68308138683808, 0.00000000000000 ] - [ -0.15831898768352, -0.00000000000000 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19915550170100, 0.00000000000000 ] - [ -0.67848145600468, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19915550170100, 0.00000000000000 ] - [ 0.67848145600468, 0.00000000000000 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67848145600468, -0.00000000000000 ] - [ -0.19915550170100, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67848145600468, -0.00000000000000 ] - [ 0.19915550170100, 0.00000000000000 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0816384669, 0.0381984212, 0.7000903828, -0.0418269912, 0.0000000000, 0.0000000000, 0.2498341874, 0.0320415479, 0.0000000000, 0.0000000000, 0.6403066240, -0.1629835735 ] - [ 0.7008045763, -0.0273676310, 0.0850053897, 0.0299673553, -0.0000000000, 0.0000000000, 0.6604339365, -0.0195763517, 0.0000000000, 0.0000000000, -0.2313613256, 0.0995777034 ] - [ -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, -0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, 0.0000000000 ] - [ -0.0307167509, 0.0847374762, 0.4654625080, -0.5246148063, 0.0000000000, -0.0000000000, -0.1993162439, 0.1540026523, -0.0000000000, 0.0000000000, -0.3375183659, 0.5680119459 ] - [ 0.4761918307, -0.5148955056, 0.0812980077, -0.0389177673, 0.0000000000, -0.0000000000, -0.4531547440, 0.4808398860, -0.0000000000, 0.0000000000, 0.0931850929, -0.2340092316 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08163846693453, 0.03819842120447 ] - [ 0.70080457626049, -0.02736763099768 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03071675091064, 0.08473747623943 ] - [ 0.47619183069608, -0.51489550562457 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70009038283718, -0.04182699120133 ] - [ 0.08500538971701, 0.02996735532198 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.46546250803174, -0.52461480626348 ] - [ 0.08129800766864, -0.03891776734403 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.49999999999921, 0.50000000000079 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24983418741086, 0.03204154785511 ] - [ 0.66043393648989, -0.01957635165877 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19931624385827, 0.15400265232270 ] - [ -0.45315474400816, 0.48083988602725 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.49999999999921, -0.50000000000079 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64030662404134, -0.16298357346856 ] - [ -0.23136132557814, 0.09957770340254 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.33751836587577, 0.56801194592046 ] - [ 0.09318509288933, -0.23400923155167 ] - q-position: [ 0.1666667, 0.3333333, 0.8333333 ] dynamical_matrix: - [ -0.0229715966, 0.0000000000, -0.6904241281, 0.0000000000, -0.1509530692, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0289629681, 0.0208634485, -0.1517538544, -0.0019916951, 0.6896792329, 0.0059346102, 0.2427970618, -0.0650973197, 0.0000000000, 0.0000000000, -0.6607002727, 0.0169432981 ] - [ -0.7032346072, -0.0604917839, 0.0157472682, 0.0057747495, 0.0349918541, -0.0172068943, -0.6544139558, 0.0924894603, -0.0000000000, 0.0000000000, -0.2502170523, -0.0240728267 ] - [ -0.0000000000, 0.0229715966, -0.0000000000, 0.6904241281, -0.0000000000, 0.1509530692, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.0208634485, -0.0289629681, -0.0019916951, 0.1517538544, 0.0059346102, -0.6896792329, 0.0650973197, 0.2427970618, 0.0000000000, -0.0000000000, -0.0169432981, -0.6607002727 ] - [ -0.0604917839, 0.7032346072, 0.0057747495, -0.0157472682, -0.0172068943, -0.0349918541, -0.0924894603, -0.6544139558, 0.0000000000, -0.0000000000, 0.0240728267, -0.2502170523 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.02297159660603, 0.00000000000000 ] - [ 0.02896296805401, 0.02086344854508 ] - [ -0.70323460724421, -0.06049178390294 ] - # atom 2 - [ -0.00000000000004, 0.02297159660603 ] - [ 0.02086344854513, -0.02896296805398 ] - [ -0.06049178390404, 0.70323460724412 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.69042412808697, 0.00000000000000 ] - [ -0.15175385437455, -0.00199169508225 ] - [ 0.01574726824009, 0.00577474947454 ] - # atom 2 - [ -0.00000000000108, 0.69042412808697 ] - [ -0.00199169508249, 0.15175385437455 ] - [ 0.00577474947456, -0.01574726824008 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.15095306921266, 0.00000000000000 ] - [ 0.68967923285527, 0.00593461015045 ] - [ 0.03499185409181, -0.01720689434557 ] - # atom 2 - [ -0.00000000000024, 0.15095306921266 ] - [ 0.00593461015153, -0.68967923285526 ] - [ -0.01720689434552, -0.03499185409184 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24279706178691, -0.06509731967135 ] - [ -0.65441395576499, 0.09248946026044 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.06509731967097, 0.24279706178702 ] - [ -0.09248946025941, -0.65441395576513 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66070027274774, 0.01694329809430 ] - [ -0.25021705228649, -0.02407282671010 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01694329809326, -0.66070027274776 ] - [ 0.02407282671049, -0.25021705228645 ] - q-position: [ 0.1666667, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1374262019, 0.1324128267, 0.0000000000, 0.0000000000, -0.5553683079, 0.3938869444, 0.1088431890, 0.0655229924, 0.6887034776, 0.0977108879, 0.0000000000, 0.0000000000 ] - [ -0.6786750961, -0.0545985006, -0.0000000000, 0.0000000000, 0.1858038022, 0.0435438253, -0.6932557770, -0.0570642208, 0.1206414348, -0.0398214332, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906 ] - [ -0.0528081686, 0.1833859727, 0.0000000000, -0.0000000000, -0.2840195909, 0.6188002540, -0.1270224629, -0.0023229815, -0.6452901512, 0.2597316276, -0.0000000000, 0.0000000000 ] - [ -0.6150491244, 0.2920538596, 0.0000000000, -0.0000000000, 0.1826827255, -0.0551918423, 0.6289092246, -0.2972088236, -0.0845678307, 0.0948070902, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13742620185547, 0.13241282673186 ] - [ -0.67867509612309, -0.05459850055429 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05280816858662, 0.18338597266440 ] - [ -0.61504912443574, 0.29205385957266 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55536830788022, 0.39388694439232 ] - [ 0.18580380222491, 0.04354382526042 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28401959088522, 0.61880025400274 ] - [ 0.18268272547675, -0.05519184225889 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10884318903169, 0.06552299242642 ] - [ -0.69325577701720, -0.05706422081463 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12702246294357, -0.00232298145748 ] - [ 0.62890922462469, -0.29720882363563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68870347758990, 0.09771088793207 ] - [ 0.12064143480497, -0.03982143321503 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.64529015123371, 0.25973162761911 ] - [ -0.08456783068264, 0.09480709018176 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.6926173145, 0.0000000000, -0.1310636853, 0.0000000000, -0.0557096578, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.0717499381, -0.0028767599, -0.0822771089, -0.0114413198, -0.6984732969, -0.0088485951, -0.1036648478, -0.0267384596, -0.6985713059, -0.0231686129, 0.0000000000, -0.0000000000 ] - [ -0.1228805150, 0.0050304318, -0.6890829215, 0.0329637874, 0.0934232065, -0.0150098079, 0.6980464831, 0.0356337127, -0.1055455406, 0.0179299957, -0.0000000000, 0.0000000000 ] - [ 0.6690169519, -0.1792625520, -0.1265977986, 0.0339217779, -0.0538113973, 0.0144187204, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019 ] - [ -0.0700496785, 0.0157915137, -0.0824348159, 0.0102434165, -0.6769635814, 0.1722311052, 0.1070529763, -0.0010030683, 0.6807645442, -0.1584243968, 0.0000000000, -0.0000000000 ] - [ -0.1173914914, 0.0366628416, -0.6570713343, 0.2101883573, 0.0863550638, -0.0386780662, -0.6834838095, 0.1462482009, 0.0973085392, -0.0446362419, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.69261731454875, 0.00000000000000 ] - [ -0.07174993814129, -0.00287675994450 ] - [ -0.12288051502047, 0.00503043184232 ] - # atom 2 - [ 0.66901695185781, -0.17926255197228 ] - [ -0.07004967854716, 0.01579151374940 ] - [ -0.11739149144013, 0.03666284159307 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.13106368533504, 0.00000000000000 ] - [ -0.08227710889038, -0.01144131982549 ] - [ -0.68908292147035, 0.03296378736709 ] - # atom 2 - [ -0.12659779855377, 0.03392177788590 ] - [ -0.08243481586158, 0.01024341645045 ] - [ -0.65707133433384, 0.21018835728089 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.05570965781327, 0.00000000000000 ] - [ -0.69847329694609, -0.00884859511408 ] - [ 0.09342320649208, -0.01500980788797 ] - # atom 2 - [ -0.05381139725558, 0.01441872043816 ] - [ -0.67696358143161, 0.17223110519742 ] - [ 0.08635506378074, -0.03867806618123 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.10366484780599, -0.02673845955176 ] - [ 0.69804648314540, 0.03563371266782 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.10705297634283, -0.00100306828350 ] - [ -0.68348380950670, 0.14624820085174 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69857130594408, -0.02316861285759 ] - [ -0.10554554062309, 0.01792999566149 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68076454417218, -0.15842439682131 ] - [ 0.09730853918173, -0.04463624191348 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189241, 0.18301270189150 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.1666667, 0.5000000, 0.3333333 ] dynamical_matrix: - [ -0.0091727865, 0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, 0.0000000000, 0.1750441813, 0.0000000000, -0.6768281195, 0.0000000000, 0.1061283719, 0.0000000000 ] - [ 0.1557365117, -0.0000000000, 0.2030119447, -0.0000000000, 0.6591906319, -0.0000000000, -0.2359104349, 0.0000000000, 0.0432906658, -0.0000000000, 0.6651858274, -0.0000000000 ] - [ -0.6896825349, -0.0000000000, 0.0368466621, -0.0000000000, 0.1515926271, -0.0000000000, -0.6431996590, -0.0000000000, -0.2000740237, -0.0000000000, -0.2150920355, -0.0000000000 ] - [ -0.0091727865, -0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, -0.0000000000, -0.1750441813, -0.0000000000, 0.6768281195, 0.0000000000, -0.1061283719, -0.0000000000 ] - [ 0.1557365117, 0.0000000000, 0.2030119447, -0.0000000000, 0.6591906319, -0.0000000000, 0.2359104349, 0.0000000000, -0.0432906658, -0.0000000000, -0.6651858274, -0.0000000000 ] - [ -0.6896825349, -0.0000000000, 0.0368466621, 0.0000000000, 0.1515926271, 0.0000000000, 0.6431996590, 0.0000000000, 0.2000740237, 0.0000000000, 0.2150920355, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.00917278651260, 0.00000000000000 ] - [ 0.15573651170999, -0.00000000000000 ] - [ -0.68968253487238, -0.00000000000000 ] - # atom 2 - [ -0.00917278651260, -0.00000000000000 ] - [ 0.15573651170999, 0.00000000000000 ] - [ -0.68968253487238, -0.00000000000000 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, -0.00000000000000 ] - [ 0.03684666210075, -0.00000000000000 ] - # atom 2 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, -0.00000000000000 ] - [ 0.03684666210075, 0.00000000000000 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.20612468599030, 0.00000000000000 ] - [ 0.65919063194297, -0.00000000000000 ] - [ 0.15159262707676, -0.00000000000000 ] - # atom 2 - [ -0.20612468599030, -0.00000000000000 ] - [ 0.65919063194297, -0.00000000000000 ] - [ 0.15159262707676, 0.00000000000000 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.17504418127870, 0.00000000000000 ] - [ -0.23591043494174, 0.00000000000000 ] - [ -0.64319965895985, -0.00000000000000 ] - # atom 2 - [ -0.17504418127870, -0.00000000000000 ] - [ 0.23591043494174, 0.00000000000000 ] - [ 0.64319965895985, 0.00000000000000 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ -0.67682811945392, 0.00000000000000 ] - [ 0.04329066578701, -0.00000000000000 ] - [ -0.20007402373168, -0.00000000000000 ] - # atom 2 - [ 0.67682811945392, 0.00000000000000 ] - [ -0.04329066578701, -0.00000000000000 ] - [ 0.20007402373168, 0.00000000000000 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.10612837187547, 0.00000000000000 ] - [ 0.66518582737557, -0.00000000000000 ] - [ -0.21509203551444, -0.00000000000000 ] - # atom 2 - [ -0.10612837187547, -0.00000000000000 ] - [ -0.66518582737557, -0.00000000000000 ] - [ 0.21509203551444, 0.00000000000000 ] - q-position: [ 0.1666667, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.3459939779, -0.0180790041, 0.0000000000, 0.0000000000, 0.6160195267, 0.0219376283, 0.1182411365, 0.0042758169, 0.6968314256, -0.0206570889, 0.0000000000, 0.0000000000 ] - [ 0.6162777487, 0.0127692338, -0.0000000000, 0.0000000000, -0.3444279467, -0.0375242946, 0.6971185974, -0.0051392851, -0.1180019741, 0.0086477209, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019 ] - [ 0.3388837096, 0.0720868540, 0.0000000000, 0.0000000000, 0.5893512944, 0.1806277074, -0.1131055046, -0.0347331800, -0.6784339186, -0.1604000285, -0.0000000000, -0.0000000000 ] - [ 0.5919736727, 0.1718385511, 0.0000000000, 0.0000000000, -0.3229798469, -0.1253901975, -0.6746950020, -0.1754634015, 0.1162193492, 0.0221881013, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.34599397792702, -0.01807900410279 ] - [ 0.61627774867971, 0.01276923377319 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33888370959845, 0.07208685400200 ] - [ 0.59197367272506, 0.17183855111497 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.61601952673152, 0.02193762827565 ] - [ -0.34442794669748, -0.03752429459525 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.58935129436613, 0.18062770739245 ] - [ -0.32297984691546, -0.12539019753386 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11824113648234, 0.00427581694063 ] - [ 0.69711859735711, -0.00513928513599 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.11310550460044, -0.03473318004770 ] - [ -0.67469500204496, -0.17546340145001 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69683142560566, -0.02065708888596 ] - [ -0.11800197409443, 0.00864772091148 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67843391858231, -0.16040002852214 ] - [ 0.11621934919952, 0.02218810128846 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -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, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2056607452, -0.0041723037, 0.0129560994, 0.0130482282, 0.7931159354, -0.0993346323, 0.0000000000, 0.0000000000, -0.1392970205, -0.0295093564, 0.5451528032, 0.0313342638 ] - [ -0.8694983607, -0.0188319286, -0.3407210874, -0.0231227690, -0.0027223070, 0.0144410257, 0.0000000000, 0.0000000000, -0.2074147731, -0.0064714676, 0.2890912684, 0.0118302029 ] - [ 0.1061541212, 0.0287661969, -0.0649082037, -0.0213620791, 0.0831865378, 0.0300284574, 0.0000000000, 0.0000000000, -0.8693404937, -0.2475342728, -0.3825502911, -0.1097353703 ] - [ 0.2680937799, 0.0504796392, 0.0879848679, 0.0084022388, -0.5916518813, 0.0137464075, 0.0000000000, 0.0000000000, -0.3260999488, -0.0384651134, 0.6682165454, 0.1148502985 ] - [ 0.3264811883, 0.0905294559, -0.8873349070, -0.2884298463, -0.0458263468, -0.0268535836, 0.0000000000, 0.0000000000, 0.1047097125, 0.0291855163, -0.0042496942, -0.0020714009 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20566074520645, -0.00417230370374 ] - [ -0.86949836068542, -0.01883192859750 ] - # atom 2 - [ 0.10615412117025, 0.02876619689756 ] - [ 0.26809377989474, 0.05047963917647 ] - [ 0.32648118827261, 0.09052945588421 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.01295609941247, 0.01304822816332 ] - [ -0.34072108740861, -0.02312276895248 ] - # atom 2 - [ -0.06490820371385, -0.02136207905713 ] - [ 0.08798486794611, 0.00840223878271 ] - [ -0.88733490702365, -0.28842984627661 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.79311593535690, -0.09933463226739 ] - [ -0.00272230704073, 0.01444102568345 ] - # atom 2 - [ 0.08318653784220, 0.03002845740430 ] - [ -0.59165188131908, 0.01374640753007 ] - [ -0.04582634684948, -0.02685358357136 ] - # 4 frequency: 911.3759468011 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 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13929702048443, -0.02950935642867 ] - [ -0.20741477314605, -0.00647146755533 ] - # atom 2 - [ -0.86934049365487, -0.24753427280514 ] - [ -0.32609994883494, -0.03846511338060 ] - [ 0.10470971251749, 0.02918551629644 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.54515280315434, 0.03133426380634 ] - [ 0.28909126844509, 0.01183020289676 ] - # atom 2 - [ -0.38255029107562, -0.10973537026894 ] - [ 0.66821654542663, 0.11485029846931 ] - [ -0.00424969416840, -0.00207140094975 ] - q-position: [ 0.1666667, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1692908184, -0.1949087854, 0.6418477803, 0.1462279422, 0.0000000000, 0.0000000000, 0.1380850955, -0.0026331984, 0.0000000000, 0.0000000000, 0.6934509010, 0.0071708112 ] - [ 0.6433122525, 0.1396442981, 0.2359508639, -0.1047664337, -0.0000000000, 0.0000000000, 0.6934861098, 0.0016087993, 0.0000000000, 0.0000000000, -0.1380406933, -0.0043811342 ] - [ 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.0000000000, 0.0000000000 ] - [ -0.0181146382, 0.2575280096, -0.3504561484, -0.5572536875, -0.0000000000, -0.0000000000, 0.0995028599, 0.0957789550, 0.0000000000, 0.0000000000, 0.4852733053, 0.4954143638 ] - [ -0.3561470260, -0.5536338863, -0.2409235117, -0.0927614002, -0.0000000000, -0.0000000000, 0.4892311380, 0.4915063237, 0.0000000000, 0.0000000000, -0.0945115806, -0.1007074400 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.16929081844464, -0.19490878539639 ] - [ 0.64331225247081, 0.13964429808119 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01811463815179, 0.25752800958144 ] - [ -0.35614702601525, -0.55363388626975 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64184778030331, 0.14622794221819 ] - [ 0.23595086394287, -0.10476643374175 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.35045614840057, -0.55725368748344 ] - [ -0.24092351166035, -0.09276140018130 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.13808509554375, -0.00263319841545 ] - [ 0.69348610975257, 0.00160879925033 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09950285989555, 0.09577895498400 ] - [ 0.48923113800524, 0.49150632372419 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69345090101710, 0.00717081120571 ] - [ -0.13804069330508, -0.00438113422229 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.48527330529895, 0.49541436375928 ] - [ -0.09451158059785, -0.10070744003359 ] - q-position: [ 0.1666667, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.0439855869, 0.0000000000, 0.7050200939, -0.0000000000, 0.0318109306, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0153167738, -0.0225653611, 0.0314044041, -0.0079278292, -0.6748315191, 0.2069046512, 0.1715153039, -0.0161976620, 0.0000000000, -0.0000000000, -0.6757717990, -0.1168443922 ] - [ -0.6993875652, 0.0904350745, 0.0433367242, -0.0044168349, 0.0065924256, -0.0271567813, -0.6820224739, 0.0718712829, -0.0000000000, -0.0000000000, -0.1700675567, -0.0275116317 ] - [ 0.0113843076, -0.0424868144, 0.1824726275, -0.6809971168, 0.0082332747, -0.0307269994, 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, 0.0000000000 ] - [ -0.0257607378, 0.0089545222, 0.0004703630, -0.0323861981, 0.0251952968, 0.7053880569, -0.0287456871, 0.1698633250, 0.0000000000, -0.0000000000, 0.2877656278, -0.6225038793 ] - [ -0.0936612477, 0.6989628314, 0.0069500347, -0.0430032221, -0.0245251911, -0.0133964864, 0.1070980771, -0.6773847785, 0.0000000000, -0.0000000000, 0.0705909182, -0.1571521110 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.04398558692874, 0.00000000000000 ] - [ -0.01531677382501, -0.02256536107109 ] - [ -0.69938756520473, 0.09043507449467 ] - # atom 2 - [ 0.01138430760712, -0.04248681439896 ] - [ -0.02576073781353, 0.00895452220822 ] - [ -0.09366124772536, 0.69896283144126 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.70502009392378, -0.00000000000000 ] - [ 0.03140440407862, -0.00792782915001 ] - [ 0.04333672418086, -0.00441683488536 ] - # atom 2 - [ 0.18247262748673, -0.68099711677392 ] - [ 0.00047036295321, -0.03238619812910 ] - [ 0.00695003468410, -0.04300322210047 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.03181093060933, 0.00000000000000 ] - [ -0.67483151908423, 0.20690465122668 ] - [ 0.00659242561703, -0.02715678128004 ] - # atom 2 - [ 0.00823327468410, -0.03072699943385 ] - [ 0.02519529682546, 0.70538805693507 ] - [ -0.02452519109418, -0.01339648636031 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.17151530388497, -0.01619766199075 ] - [ -0.68202247394610, 0.07187128294197 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02874568712943, 0.16986332503568 ] - [ 0.10709807708230, -0.67738477851555 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67577179897537, -0.11684439220124 ] - [ -0.17006755669590, -0.02751163172561 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.28776562780160, -0.62250387929332 ] - [ 0.07059091823391, -0.15715211097409 ] - q-position: [ 0.1666667, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.1038322370, -0.0684837285, -0.6706146351, -0.1865605978, 0.0000000000, 0.0000000000, 0.0446772657, 0.0186849012, 0.0000000000, 0.0000000000, 0.6856583645, 0.1659139042 ] - [ -0.6929021982, 0.0664483955, 0.1142057589, -0.0492767607, -0.0000000000, 0.0000000000, -0.7053960006, -0.0084438576, 0.0000000000, 0.0000000000, 0.0479067222, -0.0070802240 ] - [ 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, -0.3535533906, 0.6123724357, 0.0000000000, -0.0000000000, 0.3535533906, -0.6123724357, -0.0000000000, 0.0000000000 ] - [ -0.1112247671, 0.0556794907, -0.4968735346, 0.4874890113, 0.0000000000, -0.0000000000, -0.0385202320, 0.0293491965, -0.0000000000, 0.0000000000, -0.4865148381, 0.5108406099 ] - [ -0.2889051005, 0.6332951037, 0.0144279528, -0.1235434688, 0.0000000000, -0.0000000000, 0.3600105955, -0.6066689274, -0.0000000000, 0.0000000000, -0.0178217073, 0.0450285505 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.10383223697947, -0.06848372849393 ] - [ -0.69290219816853, 0.06644839553087 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.11122476711133, 0.05567949070908 ] - [ -0.28890510051348, 0.63329510371761 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67061463512173, -0.18656059781198 ] - [ 0.11420575885847, -0.04927676073112 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.49687353461099, 0.48748901125932 ] - [ 0.01442795281981, -0.12354346879549 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.35355339059295, 0.61237243569598 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.04467726574138, 0.01868490122279 ] - [ -0.70539600059881, -0.00844385761165 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.03852023199682, 0.02934919649228 ] - [ 0.36001059549672, -0.60666892744088 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.35355339059295, -0.61237243569598 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.68565836447972, 0.16591390421290 ] - [ 0.04790672224378, -0.00708022398578 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.48651483812902, 0.51084060985053 ] - [ -0.01782170728570, 0.04502855046805 ] - q-position: [ 0.1666667, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0816384669, 0.0381984212, 0.7000903828, -0.0418269912, 0.0000000000, 0.0000000000, 0.2498341874, 0.0320415479, 0.0000000000, 0.0000000000, 0.6403066240, -0.1629835735 ] - [ 0.7008045763, -0.0273676310, 0.0850053897, 0.0299673553, -0.0000000000, 0.0000000000, 0.6604339365, -0.0195763517, 0.0000000000, 0.0000000000, -0.2313613256, 0.0995777034 ] - [ -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, -0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, 0.0000000000 ] - [ -0.0307167509, 0.0847374762, 0.4654625080, -0.5246148063, 0.0000000000, -0.0000000000, -0.1993162439, 0.1540026523, -0.0000000000, 0.0000000000, -0.3375183659, 0.5680119459 ] - [ 0.4761918307, -0.5148955056, 0.0812980077, -0.0389177673, 0.0000000000, -0.0000000000, -0.4531547440, 0.4808398860, -0.0000000000, 0.0000000000, 0.0931850929, -0.2340092316 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08163846693453, 0.03819842120447 ] - [ 0.70080457626049, -0.02736763099768 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03071675091064, 0.08473747623943 ] - [ 0.47619183069608, -0.51489550562457 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70009038283718, -0.04182699120133 ] - [ 0.08500538971701, 0.02996735532198 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.46546250803174, -0.52461480626348 ] - [ 0.08129800766864, -0.03891776734403 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.49999999999921, 0.50000000000079 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24983418741086, 0.03204154785511 ] - [ 0.66043393648989, -0.01957635165877 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19931624385827, 0.15400265232270 ] - [ -0.45315474400816, 0.48083988602725 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.49999999999921, -0.50000000000079 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64030662404134, -0.16298357346856 ] - [ -0.23136132557814, 0.09957770340254 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.33751836587577, 0.56801194592046 ] - [ 0.09318509288933, -0.23400923155167 ] - 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 ] - [ -0.1274948739, 0.0302112851, -0.0975749517, 0.0505749365, 0.7090343489, 0.0448161598, 0.0079601425, -0.0008897389, 0.0000000000, 0.0000000000, 0.6816973326, 0.0352141328 ] - [ 0.6236720419, -0.4206451431, 0.4154736859, -0.4606918227, 0.2069270004, -0.0502480010, 0.0248687602, -0.0510786703, 0.0000000000, 0.0000000000, 0.0176250803, -0.0188078215 ] - [ 0.0824979081, -0.0203539850, 0.1041129116, -0.0187119636, -0.6323663558, -0.2188784468, -0.0342852463, -0.0169766720, 0.0000000000, 0.0000000000, 0.6933865219, 0.2270388466 ] - [ 0.0789902782, 0.0346864799, -0.0425223960, 0.0372996011, 0.0315515969, 0.0207541867, -0.9286616796, -0.3537502343, 0.0000000000, 0.0000000000, -0.0192622085, -0.0029923215 ] - [ -0.5482883322, -0.3188107313, 0.7337893478, 0.2241207446, 0.0241248357, 0.0107205038, -0.0557501788, -0.0677115006, 0.0000000000, 0.0000000000, -0.0248639615, -0.0073908138 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12749487386990, 0.03021128513245 ] - [ 0.62367204194906, -0.42064514308775 ] - # atom 2 - [ 0.08249790805378, -0.02035398498335 ] - [ 0.07899027824930, 0.03468647991784 ] - [ -0.54828833218171, -0.31881073128704 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09757495171126, 0.05057493652181 ] - [ 0.41547368586182, -0.46069182274810 ] - # atom 2 - [ 0.10411291162139, -0.01871196356689 ] - [ -0.04252239595978, 0.03729960107230 ] - [ 0.73378934778254, 0.22412074455424 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70903434887940, 0.04481615983323 ] - [ 0.20692700040595, -0.05024800102384 ] - # atom 2 - [ -0.63236635576668, -0.21887844683150 ] - [ 0.03155159687118, 0.02075418666710 ] - [ 0.02412483573391, 0.01072050379176 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00796014249995, -0.00088973890038 ] - [ 0.02486876017387, -0.05107867027672 ] - # atom 2 - [ -0.03428524627817, -0.01697667201275 ] - [ -0.92866167963153, -0.35375023426591 ] - [ -0.05575017878043, -0.06771150055915 ] - # 5 frequency: 911.3759468011 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: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.68169733258476, 0.03521413284125 ] - [ 0.01762508029570, -0.01880782145981 ] - # atom 2 - [ 0.69338652189598, 0.22703884661056 ] - [ -0.01926220854529, -0.00299232151986 ] - [ -0.02486396145121, -0.00739081383529 ] - q-position: [ 0.1666667, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1524478241, 0.0152277162, 0.0000000000, 0.0000000000, -0.6892404502, -0.0384106684, 0.0350708789, -0.0435523586, 0.0000000000, 0.0000000000, -0.7016628365, -0.0673979920 ] - [ -0.6900144408, -0.0201952724, -0.0000000000, 0.0000000000, 0.1506065813, 0.0281048056, 0.7038980452, 0.0374268287, 0.0000000000, 0.0000000000, 0.0282226903, 0.0482727070 ] - [ 0.0000000000, -0.0000000000, 0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, -0.0000000000 ] - [ 0.1433120675, -0.0541652447, -0.0000000000, 0.0000000000, 0.6756965638, -0.1412866985, 0.0226036878, -0.0511453593, 0.0000000000, -0.0000000000, -0.6951981391, 0.1165022442 ] - [ 0.6717296900, -0.1590817435, -0.0000000000, 0.0000000000, -0.1527488454, 0.0118326939, 0.6896000770, -0.1460306795, 0.0000000000, -0.0000000000, 0.0397549214, 0.0393232846 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15244782413571, 0.01522771623501 ] - [ -0.69001444082640, -0.02019527235736 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.14331206751919, -0.05416524465763 ] - [ 0.67172969001366, -0.15908174354307 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68924045015220, -0.03841066842091 ] - [ 0.15060658128270, 0.02810480563503 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67569656384749, -0.14128669852200 ] - [ -0.15274884542731, 0.01183269394811 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03507087891930, -0.04355235857797 ] - [ 0.70389804517975, 0.03742682869613 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.02260368783966, -0.05114535933908 ] - [ 0.68960007697778, -0.14603067946963 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70166283654565, -0.06739799199406 ] - [ 0.02822269030234, 0.04827270696755 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.69519813909636, 0.11650224423195 ] - [ 0.03975492137226, 0.03932328461054 ] - q-position: [ 0.1666667, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.1004607650, 0.0000000000, -0.6353677711, 0.0000000000, -0.2936246415, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.5021927758, -0.0000000000, 0.1411968482, 0.0000000000, -0.4773529784, -0.0000000000, -0.0060393611, 0.0000000000, -0.7070809898, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.4875551770, -0.0000000000, -0.2763534792, -0.0000000000, 0.4311829124, 0.0000000000, -0.7070809898, -0.0000000000, 0.0060393611, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.1004607650, 0.0000000000, 0.6353677711, -0.0000000000, 0.2936246415, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, -0.0000000000 ] - [ 0.5021927758, -0.0000000000, -0.1411968482, -0.0000000000, 0.4773529784, -0.0000000000, -0.0060393611, 0.0000000000, -0.7070809898, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.4875551770, -0.0000000000, 0.2763534792, 0.0000000000, -0.4311829124, -0.0000000000, -0.7070809898, 0.0000000000, 0.0060393611, 0.0000000000, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.10046076497105, 0.00000000000000 ] - [ -0.50219277579762, -0.00000000000019 ] - [ -0.48755517701908, -0.00000000000054 ] - # atom 2 - [ -0.10046076497105, 0.00000000000016 ] - [ 0.50219277579762, -0.00000000000060 ] - [ 0.48755517701909, -0.00000000000023 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.63536777114046, 0.00000000000000 ] - [ 0.14119684820379, 0.00000000000030 ] - [ -0.27635347917716, -0.00000000000055 ] - # atom 2 - [ 0.63536777114046, -0.00000000000100 ] - [ -0.14119684820379, -0.00000000000007 ] - [ 0.27635347917716, 0.00000000000012 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.29362464150244, 0.00000000000000 ] - [ -0.47735297840696, -0.00000000000070 ] - [ 0.43118291235689, 0.00000000000101 ] - # atom 2 - [ 0.29362464150244, -0.00000000000046 ] - [ 0.47735297840696, -0.00000000000005 ] - [ -0.43118291235689, -0.00000000000034 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00603936107912, 0.00000000000001 ] - [ -0.70708098978671, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00603936107912, 0.00000000000002 ] - [ -0.70708098978671, 0.00000000000109 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70708098978671, -0.00000000000043 ] - [ 0.00603936107912, 0.00000000000001 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.70708098978671, 0.00000000000068 ] - [ 0.00603936107912, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000111 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.8333333, 0.0000000 ] dynamical_matrix: - [ -0.0134962677, 0.0000000000, -0.6586215158, 0.0000000000, -0.2569738306, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0473978444, 0.0297354350, 0.2553695234, 0.0004739779, -0.6569990267, -0.0027765063, 0.2619380606, -0.0091353571, -0.6567322029, 0.0027948616, 0.0000000000, 0.0000000000 ] - [ -0.6817903960, -0.1784627549, 0.0315561181, -0.0028446669, -0.0450703973, 0.0166637199, -0.6566395889, 0.0113775190, -0.2620741998, -0.0034808263, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, 0.0134962677, -0.0000000000, 0.6586215158, -0.0000000000, 0.2569738306, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.0297354350, -0.0473978444, 0.0004739779, -0.2553695234, -0.0027765063, 0.6569990267, 0.0091353571, 0.2619380606, -0.0027948616, -0.6567322029, -0.0000000000, -0.0000000000 ] - [ -0.1784627549, 0.6817903960, -0.0028446669, -0.0315561181, 0.0166637199, 0.0450703973, -0.0113775190, -0.6566395889, 0.0034808263, -0.2620741998, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.01349626771788, 0.00000000000000 ] - [ 0.04739784442268, 0.02973543501515 ] - [ -0.68179039602366, -0.17846275492699 ] - # atom 2 - [ 0.00000000000000, 0.01349626771788 ] - [ 0.02973543501515, -0.04739784442268 ] - [ -0.17846275492699, 0.68179039602366 ] - # 2 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.65862151583874, 0.00000000000000 ] - [ 0.25536952343301, 0.00047397793057 ] - [ 0.03155611812495, -0.00284466688385 ] - # atom 2 - [ -0.00000000000000, 0.65862151583874 ] - [ 0.00047397793057, -0.25536952343301 ] - [ -0.00284466688385, -0.03155611812495 ] - # 3 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.25697383063644, 0.00000000000000 ] - [ -0.65699902671765, -0.00277650628086 ] - [ -0.04507039729510, 0.01666371989186 ] - # atom 2 - [ -0.00000000000000, 0.25697383063644 ] - [ -0.00277650628086, 0.65699902671765 ] - [ 0.01666371989186, 0.04507039729511 ] - # 4 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.26193806063925, -0.00913535709473 ] - [ -0.65663958889178, 0.01137751903243 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00913535709473, 0.26193806063925 ] - [ -0.01137751903243, -0.65663958889178 ] - # 5 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.65673220294713, 0.00279486162673 ] - [ -0.26207419981540, -0.00348082631268 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00279486162673, -0.65673220294713 ] - [ 0.00348082631268, -0.26207419981540 ] - # 6 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.1666667, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.1700968603, 0.0000000000, 0.6319777924, 0.0000000000, 0.2677146391, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2348575549, 0.0361714196, -0.2051008680, -0.0138277949, 0.6333898177, 0.0096603399, -0.1216510416, -0.0848489735, 0.0000000000, -0.0000000000, -0.6903042818, -0.0384925232 ] - [ -0.6254223694, -0.1531256846, 0.2301286203, 0.0733983248, -0.1458784477, -0.0759760958, 0.6824586748, 0.1106879984, -0.0000000000, 0.0000000000, -0.1370374178, 0.0567368518 ] - [ 0.0121810502, -0.1696601424, 0.0452574679, -0.6303552107, 0.0191716969, -0.2670272908, 0.0000000000, 0.0000000000, -0.0506376377, 0.7052913084, 0.0000000000, 0.0000000000 ] - [ 0.0192598296, 0.2368448894, -0.0284800649, 0.2035840364, 0.0549941238, -0.6310718103, 0.0933428538, -0.1152624651, 0.0000000000, -0.0000000000, 0.0878280647, -0.6857754055 ] - [ -0.1975205576, 0.6128509156, 0.0896899477, -0.2242815401, -0.0862277404, 0.1400630766, -0.1592763375, 0.6727798482, 0.0000000000, -0.0000000000, -0.0467775988, -0.1407486429 ] band: - # 1 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.17009686033687, 0.00000000000000 ] - [ -0.23485755488648, 0.03617141959923 ] - [ -0.62542236940060, -0.15312568456596 ] - # atom 2 - [ 0.01218105017412, -0.16966014238210 ] - [ 0.01925982956438, 0.23684488942815 ] - [ -0.19752055764560, 0.61285091558048 ] - # 2 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.63197779240128, 0.00000000000000 ] - [ -0.20510086799911, -0.01382779494489 ] - [ 0.23012862026811, 0.07339832476341 ] - # atom 2 - [ 0.04525746790931, -0.63035521072395 ] - [ -0.02848006490795, 0.20358403638268 ] - [ 0.08968994765536, -0.22428154011010 ] - # 3 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.26771463914987, 0.00000000000000 ] - [ 0.63338981771304, 0.00966033991829 ] - [ -0.14587844770059, -0.07597609578959 ] - # atom 2 - [ 0.01917169691065, -0.26702729083880 ] - [ 0.05499412379988, -0.63107181025409 ] - [ -0.08622774042399, 0.14006307656316 ] - # 4 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12165104159422, -0.08484897352188 ] - [ 0.68245867477183, 0.11068799844611 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09334285382250, -0.11526246513478 ] - [ -0.15927633750477, 0.67277984815420 ] - # 5 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063763765561, 0.70529130836319 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69030428177166, -0.03849252315759 ] - [ -0.13703741778929, 0.05673685181890 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08782806467825, -0.68577540552735 ] - [ -0.04677759883590, -0.14074864289159 ] - q-position: [ 0.1666667, 0.8333333, 0.3333333 ] dynamical_matrix: - [ -0.0229715966, 0.0000000000, -0.6904241281, 0.0000000000, -0.1509530692, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0289629681, 0.0208634485, -0.1517538544, -0.0019916951, 0.6896792329, 0.0059346102, 0.2427970618, -0.0650973197, 0.0000000000, 0.0000000000, -0.6607002727, 0.0169432981 ] - [ -0.7032346072, -0.0604917839, 0.0157472682, 0.0057747495, 0.0349918541, -0.0172068943, -0.6544139558, 0.0924894603, -0.0000000000, 0.0000000000, -0.2502170523, -0.0240728267 ] - [ -0.0000000000, 0.0229715966, -0.0000000000, 0.6904241281, -0.0000000000, 0.1509530692, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.0208634485, -0.0289629681, -0.0019916951, 0.1517538544, 0.0059346102, -0.6896792329, 0.0650973197, 0.2427970618, 0.0000000000, -0.0000000000, -0.0169432981, -0.6607002727 ] - [ -0.0604917839, 0.7032346072, 0.0057747495, -0.0157472682, -0.0172068943, -0.0349918541, -0.0924894603, -0.6544139558, 0.0000000000, -0.0000000000, 0.0240728267, -0.2502170523 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.02297159660603, 0.00000000000000 ] - [ 0.02896296805401, 0.02086344854508 ] - [ -0.70323460724421, -0.06049178390294 ] - # atom 2 - [ -0.00000000000004, 0.02297159660603 ] - [ 0.02086344854513, -0.02896296805398 ] - [ -0.06049178390404, 0.70323460724412 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.69042412808697, 0.00000000000000 ] - [ -0.15175385437455, -0.00199169508225 ] - [ 0.01574726824009, 0.00577474947454 ] - # atom 2 - [ -0.00000000000108, 0.69042412808697 ] - [ -0.00199169508249, 0.15175385437455 ] - [ 0.00577474947456, -0.01574726824008 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.15095306921266, 0.00000000000000 ] - [ 0.68967923285527, 0.00593461015045 ] - [ 0.03499185409181, -0.01720689434557 ] - # atom 2 - [ -0.00000000000024, 0.15095306921266 ] - [ 0.00593461015153, -0.68967923285526 ] - [ -0.01720689434552, -0.03499185409184 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24279706178691, -0.06509731967135 ] - [ -0.65441395576499, 0.09248946026044 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.06509731967097, 0.24279706178702 ] - [ -0.09248946025941, -0.65441395576513 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66070027274774, 0.01694329809430 ] - [ -0.25021705228649, -0.02407282671010 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01694329809326, -0.66070027274776 ] - [ 0.02407282671049, -0.25021705228645 ] - q-position: [ 0.1666667, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.2216986410, 0.0240008458, 0.0000000000, 0.0000000000, 0.6707968189, -0.0174728271, -0.0217198675, 0.0131620027, 0.7063643576, -0.0201097821, 0.0000000000, 0.0000000000 ] - [ 0.6708039818, -0.0171956398, -0.0000000000, 0.0000000000, 0.2226423438, 0.0125185772, 0.7066047993, -0.0080415588, 0.0222268902, 0.0122864279, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, -0.0000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000 ] - [ 0.1737357733, 0.1397934517, -0.0000000000, -0.0000000000, -0.4866801340, -0.4619698249, -0.0246652069, -0.0060513243, 0.5136947906, 0.4852552639, 0.0000000000, 0.0000000000 ] - [ -0.4864891978, -0.4621708909, -0.0000000000, -0.0000000000, -0.1485799403, -0.1662838819, 0.5053312860, 0.4939588044, 0.0070289683, 0.0244046013, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22169864104588, 0.02400084575740 ] - [ 0.67080398175226, -0.01719563975698 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.17373577325265, 0.13979345167411 ] - [ -0.48648919782296, -0.46217089086496 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67079681892113, -0.01747282709312 ] - [ 0.22264234382482, 0.01251857718958 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.48668013398154, -0.46196982493345 ] - [ -0.14857994027623, -0.16628388191936 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.02171986749648, 0.01316200265233 ] - [ 0.70660479928565, -0.00804155884177 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02466520692269, -0.00605132426378 ] - [ 0.50533128598217, 0.49395880440551 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70636435761236, -0.02010978212196 ] - [ 0.02222689020194, 0.01228642787125 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.51369479056280, 0.48525526394956 ] - [ 0.00702896832216, 0.02440460125080 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.1666667, 0.8333333, 0.6666667 ] dynamical_matrix: - [ -0.0794119373, 0.0000000000, -0.7023334139, 0.0000000000, 0.0205309523, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0105321591, -0.0000000000, -0.0218491831, 0.0000000000, -0.7066906585, -0.0000000000, -0.1210953336, -0.0000000000, 0.0000000000, -0.0000000000, -0.6966605487, -0.0000000000 ] - [ 0.7025544946, 0.0000000000, -0.0790594016, -0.0000000000, 0.0129148432, 0.0000000000, -0.6966605487, 0.0000000000, -0.0000000000, 0.0000000000, 0.1210953336, -0.0000000000 ] - [ 0.0794119373, -0.0000000000, 0.7023334139, -0.0000000000, -0.0205309523, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0105321591, 0.0000000000, 0.0218491831, -0.0000000000, 0.7066906585, -0.0000000000, -0.1210953336, 0.0000000000, -0.0000000000, 0.0000000000, -0.6966605487, 0.0000000000 ] - [ -0.7025544946, 0.0000000000, 0.0790594016, -0.0000000000, -0.0129148432, -0.0000000000, -0.6966605487, 0.0000000000, -0.0000000000, 0.0000000000, 0.1210953336, -0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.07941193731878, 0.00000000000000 ] - [ 0.01053215913167, -0.00000000000029 ] - [ 0.70255449456630, 0.00000000000087 ] - # atom 2 - [ 0.07941193731878, -0.00000000000012 ] - [ -0.01053215913167, 0.00000000000031 ] - [ -0.70255449456630, 0.00000000000023 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70233341385043, 0.00000000000000 ] - [ -0.02184918306157, 0.00000000000001 ] - [ -0.07905940164679, -0.00000000000009 ] - # atom 2 - [ 0.70233341385043, -0.00000000000110 ] - [ 0.02184918306157, -0.00000000000005 ] - [ 0.07905940164679, -0.00000000000003 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.02053095225469, 0.00000000000000 ] - [ -0.70669065850878, -0.00000000000063 ] - [ 0.01291484324134, 0.00000000000032 ] - # atom 2 - [ -0.02053095225469, 0.00000000000003 ] - [ 0.70669065850878, -0.00000000000048 ] - [ -0.01291484324134, -0.00000000000030 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12109533364603, -0.00000000000009 ] - [ -0.69666054873888, 0.00000000000002 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12109533364603, 0.00000000000010 ] - [ -0.69666054873888, 0.00000000000112 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000111 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69666054873888, -0.00000000000040 ] - [ 0.12109533364603, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69666054873888, 0.00000000000069 ] - [ 0.12109533364603, -0.00000000000021 ] - q-position: [ 0.1666667, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.1101986828, 0.0000000000, 0.6239988401, 0.0000000000, 0.3138179375, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0315982664, -0.0014663534, 0.3128980491, 0.0039341058, -0.6332656082, -0.0073076997, 0.2039514687, 0.0018613389, 0.0000000000, -0.0000000000, 0.6770337964, 0.0050569073 ] - [ 0.6977012937, 0.0082797639, -0.1126945368, -0.0021731566, -0.0209181901, 0.0014136481, 0.6770526124, -0.0003063219, -0.0000000000, 0.0000000000, -0.2039595084, 0.0004302515 ] - [ -0.1099157514, 0.0078915959, -0.6223967441, 0.0446860757, -0.3130122205, 0.0224732663, 0.0000000000, -0.0000000000, 0.7052913084, -0.0506376377, 0.0000000000, -0.0000000000 ] - [ -0.0314121298, 0.0037254173, -0.3123764248, 0.0184833858, 0.6321630423, -0.0380607542, 0.2035611252, -0.0127489011, -0.0000000000, 0.0000000000, 0.6756576724, -0.0434401141 ] - [ -0.6965029032, 0.0417055819, 0.1125608224, -0.0059027530, 0.0207632485, -0.0029080211, 0.6752923662, -0.0487909209, -0.0000000000, 0.0000000000, -0.2034050379, 0.0150351837 ] band: - # 1 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.11019868276725, 0.00000000000000 ] - [ 0.03159826641852, -0.00146635337932 ] - [ 0.69770129367333, 0.00827976388770 ] - # atom 2 - [ -0.10991575136416, 0.00789159588985 ] - [ -0.03141212980020, 0.00372541733293 ] - [ -0.69650290316653, 0.04170558192936 ] - # 2 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.62399884009068, 0.00000000000000 ] - [ 0.31289804911163, 0.00393410577928 ] - [ -0.11269453682236, -0.00217315662777 ] - # atom 2 - [ -0.62239674410443, 0.04468607571407 ] - [ -0.31237642480890, 0.01848338577636 ] - [ 0.11256082243357, -0.00590275295210 ] - # 3 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.31381793747625, 0.00000000000000 ] - [ -0.63326560822989, -0.00730769965107 ] - [ -0.02091819007827, 0.00141364813173 ] - # atom 2 - [ -0.31301222050092, 0.02247326631642 ] - [ 0.63216304228734, -0.03806075415670 ] - [ 0.02076324854697, -0.00290802114291 ] - # 4 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.20395146874520, 0.00186133887686 ] - [ 0.67705261241734, -0.00030632191611 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.20356112523198, -0.01274890113025 ] - [ 0.67529236620116, -0.04879092092494 ] - # 5 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70529130836319, -0.05063763765561 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67703379642565, 0.00505690732870 ] - [ -0.20395950840637, 0.00043025152155 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.67565767241889, -0.04344011413146 ] - [ -0.20340503788557, 0.01503518368727 ] - q-position: [ 0.3333333, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.6971029606, 0.0000000000, -0.0563200791, 0.0000000000, 0.1042857184, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0942776092, -0.0052401850, -0.1114668087, 0.0139366620, -0.6904015341, 0.0425548429, -0.0974149429, -0.0037688221, 0.6991216563, -0.0415335351, 0.0000000000, 0.0000000000 ] - [ -0.0715082048, -0.0042792399, -0.6951427431, -0.0313932379, 0.1025843913, 0.0116506956, -0.7002667630, 0.0110718340, -0.0968570576, 0.0110718340, -0.0000000000, -0.0000000000 ] - [ 0.6845415180, -0.1317400766, -0.0553052198, 0.0106434945, 0.1024065425, -0.0197081483, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.6943650748, 0.1336306210 ] - [ 0.0915884725, -0.0229625529, -0.1068244516, 0.0347507772, -0.6699187384, 0.1722616522, 0.0963718153, -0.0147087840, -0.6786747375, 0.1729066961, 0.0000000000, -0.0000000000 ] - [ -0.0710283634, 0.0093116503, -0.6885493870, 0.1005420826, 0.1029376470, -0.0079458718, 0.6855559304, -0.1432103041, 0.0930193625, -0.0291765885, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.69710296055984, 0.00000000000000 ] - [ 0.09427760919949, -0.00524018497989 ] - [ -0.07150820477120, -0.00427923989898 ] - # atom 2 - [ 0.68454151798793, -0.13174007656012 ] - [ 0.09158847251484, -0.02296255293718 ] - [ -0.07102836343546, 0.00931165030449 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.05632007913243, 0.00000000000000 ] - [ -0.11146680868244, 0.01393666197925 ] - [ -0.69514274312070, -0.03139323793706 ] - # atom 2 - [ -0.05530521980792, 0.01064349451453 ] - [ -0.10682445164887, 0.03475077718397 ] - [ -0.68854938699150, 0.10054208260808 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.10428571841449, 0.00000000000000 ] - [ -0.69040153405224, 0.04255484294829 ] - [ 0.10258439134413, 0.01165069557132 ] - # atom 2 - [ 0.10240654254371, -0.01970814830139 ] - [ -0.66991873840022, 0.17226165220470 ] - [ 0.10293764703207, -0.00794587177351 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.09741494289370, -0.00376882205796 ] - [ -0.70026676300813, 0.01107183396855 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.09637181534227, -0.01470878398522 ] - [ 0.68555593037161, -0.14321030414613 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69912165632340, -0.04153353513644 ] - [ -0.09685705762236, 0.01107183396855 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.67867473751543, 0.17290669605218 ] - [ 0.09301936251411, -0.02917658849414 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.69436507482950, 0.13363062095574 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.0000000, 0.1666667 ] dynamical_matrix: - [ 0.4532765100, -0.0000000000, -0.3756662752, 0.0000000000, -0.3916825949, 0.0000000000, 0.0000000000, 0.0000000000, -0.5822763503, 0.0000000000, 0.4011910416, 0.0000000000 ] - [ -0.5140675490, -0.0009102045, -0.1336036892, 0.0019910140, -0.4667665774, -0.0029629377, -0.1213089809, 0.0096453883, -0.3951994631, -0.0021271146, -0.5735803574, -0.0030872288 ] - [ 0.1736923388, 0.0102520015, 0.5825306023, 0.0409760559, -0.3577040344, -0.0274363246, 0.6940579625, -0.0589460968, -0.0690442727, -0.0000000000, -0.1002087359, -0.0000000000 ] - [ 0.4521127379, -0.0324602341, -0.3747017647, 0.0269023763, -0.3906769631, 0.0280493440, -0.0000000000, 0.0000000000, 0.5807813754, -0.0416982267, -0.4001609971, 0.0287302670 ] - [ -0.5128128798, 0.0359057608, -0.1331180849, 0.0115535875, -0.4657803531, 0.0304709602, 0.1203067944, -0.0183078555, 0.3943371296, -0.0261795421, 0.5723287932, -0.0379961830 ] - [ 0.1739805604, -0.0022128513, 0.5839693697, -0.0008455831, -0.3587504233, -0.0017498262, -0.6880547186, 0.1084979347, 0.0688670039, -0.0049444284, 0.0999514534, -0.0071761915 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.45327651002436, -0.00000000000000 ] - [ -0.51406754895547, -0.00091020447559 ] - [ 0.17369233881856, 0.01025200149283 ] - # atom 2 - [ 0.45211273786535, -0.03246023412976 ] - [ -0.51281287981122, 0.03590576083295 ] - [ 0.17398056037365, -0.00221285131457 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.37566627517066, 0.00000000000000 ] - [ -0.13360368919619, 0.00199101401967 ] - [ 0.58253060232238, 0.04097605585792 ] - # atom 2 - [ -0.37470176467331, 0.02690237631338 ] - [ -0.13311808486816, 0.01155358752473 ] - [ 0.58396936973187, -0.00084558305981 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.39168259491525, 0.00000000000000 ] - [ -0.46676657735449, -0.00296293770454 ] - [ -0.35770403435986, -0.02743632460926 ] - # atom 2 - [ -0.39067696305688, 0.02804934395302 ] - [ -0.46578035308301, 0.03047096022338 ] - [ -0.35875042329384, -0.00174982624080 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12130898085022, 0.00964538829821 ] - [ 0.69405796250467, -0.05894609684723 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12030679439904, -0.01830785546613 ] - [ -0.68805471861707, 0.10849793471971 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.58227635034722, 0.00000000000000 ] - [ -0.39519946307308, -0.00212711464965 ] - [ -0.06904427272654, -0.00000000000000 ] - # atom 2 - [ 0.58078137544692, -0.04169822667289 ] - [ 0.39433712963161, -0.02617954208715 ] - [ 0.06886700388388, -0.00494442841942 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.40119104155791, 0.00000000000000 ] - [ -0.57358035743716, -0.00308722884279 ] - [ -0.10020873591661, -0.00000000000000 ] - # atom 2 - [ -0.40016099708333, 0.02873026696007 ] - [ 0.57232879317706, -0.03799618296828 ] - [ 0.09995145336530, -0.00717619148084 ] - q-position: [ 0.3333333, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.2713684400, 0.0000000000, 0.0156691170, 0.0000000000, 0.6527738112, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.6498977857, 0.0000000000, -0.0748835679, 0.0000000000, -0.2683753330, 0.0000000000, 0.2364001912, 0.0000000000, -0.6664194997, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0631825754, 0.0000000000, 0.7029558521, 0.0000000000, -0.0431396817, 0.0000000000, -0.6664194997, 0.0000000000, -0.2364001912, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.2713684400, 0.0000000000, 0.0156691170, 0.0000000000, 0.6527738112, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.6498977857, 0.0000000000, -0.0748835679, 0.0000000000, -0.2683753330, 0.0000000000, -0.2364001912, 0.0000000000, 0.6664194997, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0631825754, 0.0000000000, 0.7029558521, 0.0000000000, -0.0431396817, 0.0000000000, 0.6664194997, 0.0000000000, 0.2364001912, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.27136844003695, 0.00000000000000 ] - [ 0.64989778574873, 0.00000000000000 ] - [ 0.06318257537340, 0.00000000000000 ] - # atom 2 - [ 0.27136844003695, 0.00000000000000 ] - [ 0.64989778574873, 0.00000000000000 ] - [ 0.06318257537340, 0.00000000000000 ] - # 2 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.01566911700673, 0.00000000000000 ] - [ -0.07488356787333, 0.00000000000000 ] - [ 0.70295585212358, 0.00000000000000 ] - # atom 2 - [ 0.01566911700673, 0.00000000000000 ] - [ -0.07488356787333, 0.00000000000000 ] - [ 0.70295585212358, 0.00000000000000 ] - # 3 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.65277381115065, 0.00000000000000 ] - [ -0.26837533296013, 0.00000000000000 ] - [ -0.04313968166775, 0.00000000000000 ] - # atom 2 - [ 0.65277381115065, 0.00000000000000 ] - [ -0.26837533296013, 0.00000000000000 ] - [ -0.04313968166775, 0.00000000000000 ] - # 4 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.23640019122568, 0.00000000000000 ] - [ -0.66641949970605, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.23640019122568, 0.00000000000000 ] - [ 0.66641949970605, 0.00000000000000 ] - # 5 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66641949970605, 0.00000000000000 ] - [ -0.23640019122568, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66641949970605, 0.00000000000000 ] - [ 0.23640019122568, 0.00000000000000 ] - # 6 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.0287909939, -0.0270260325, 0.0000000000, 0.0000000000, -0.7058965495, 0.0122773633, 0.0308845643, 0.0175564252, -0.7061220137, 0.0113849603, 0.0000000000, 0.0000000000 ] - [ -0.7053877206, 0.0294760220, -0.0000000000, 0.0000000000, 0.0271428842, -0.0286808577, 0.7060646558, -0.0145126660, 0.0302200914, -0.0186770034, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.6830127019, -0.1830127019 ] - [ -0.0348048165, -0.0186534852, 0.0000000000, -0.0000000000, -0.6786660924, 0.1945584932, -0.0343761355, -0.0089646911, 0.6791148450, -0.1937548525, -0.0000000000, 0.0000000000 ] - [ -0.6737232610, 0.2110394271, 0.0000000000, -0.0000000000, 0.0187948607, -0.0347286765, -0.6782499317, 0.1967611389, -0.0243564025, 0.0258621351, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02879099385932, -0.02702603247416 ] - [ -0.70538772059781, 0.02947602196910 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03480481645113, -0.01865348521068 ] - [ -0.67372326101303, 0.21103942714874 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70589654949714, 0.01227736328906 ] - [ 0.02714288419443, -0.02868085766342 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.67866609240467, 0.19455849316201 ] - [ 0.01879486065019, -0.03472867650576 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03088456426944, 0.01755642521050 ] - [ 0.70606465578598, -0.01451266596945 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03437613546994, -0.00896469109550 ] - [ -0.67824993170537, 0.19676113885972 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70612201374989, 0.01138496032101 ] - [ 0.03022009135465, -0.01867700336784 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.67911484503335, -0.19375485253031 ] - [ -0.02435640253522, 0.02586213509802 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.0000000, 0.6666667 ] dynamical_matrix: - [ -0.0342844162, 0.0000000000, -0.6841045471, 0.0000000000, 0.1755720575, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0658416337, 0.1006445775, -0.1761475331, -0.0121701116, -0.6734897799, -0.0277668790, -0.0069462100, -0.0361914398, -0.7057866459, -0.0225197766, 0.0000000000, -0.0000000000 ] - [ -0.6562506557, -0.2317222560, 0.0063063001, 0.0280202449, -0.1035757188, 0.0639299604, 0.7038778589, 0.0565498861, -0.0109499418, 0.0351876246, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0342844162, -0.0000000000, 0.6841045471, 0.0000000000, -0.1755720575, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.1006445775, -0.0658416337, -0.0121701116, 0.1761475331, -0.0277668790, 0.6734897799, 0.0361914398, -0.0069462100, 0.0225197766, -0.7057866459, 0.0000000000, -0.0000000000 ] - [ -0.2317222560, 0.6562506557, 0.0280202449, -0.0063063001, 0.0639299604, 0.1035757188, -0.0565498861, 0.7038778589, -0.0351876246, -0.0109499418, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.03428441620741, 0.00000000000000 ] - [ 0.06584163372602, 0.10064457746941 ] - [ -0.65625065574538, -0.23172225601647 ] - # atom 2 - [ 0.00000000000000, 0.03428441620741 ] - [ 0.10064457746941, -0.06584163372602 ] - [ -0.23172225601647, 0.65625065574538 ] - # 2 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.68410454714082, 0.00000000000000 ] - [ -0.17614753310801, -0.01217011157227 ] - [ 0.00630630008395, 0.02802024490943 ] - # atom 2 - [ -0.00000000000000, 0.68410454714082 ] - [ -0.01217011157227, 0.17614753310801 ] - [ 0.02802024490943, -0.00630630008395 ] - # 3 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.17557205753357, 0.00000000000000 ] - [ -0.67348977994282, -0.02776687903136 ] - [ -0.10357571876956, 0.06392996039592 ] - # atom 2 - [ 0.00000000000000, -0.17557205753357 ] - [ -0.02776687903136, 0.67348977994282 ] - [ 0.06392996039592, 0.10357571876956 ] - # 4 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00694621001995, -0.03619143984113 ] - [ 0.70387785888635, 0.05654988610198 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.03619143984113, -0.00694621001995 ] - [ -0.05654988610198, 0.70387785888635 ] - # 5 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70578664588684, -0.02251977656173 ] - [ -0.01094994177962, 0.03518762462057 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.02251977656173, -0.70578664588684 ] - [ -0.03518762462057, -0.01094994177962 ] - # 6 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.0042413983, 0.0000000000, 0.2893614502, -0.0000000000, 0.6451759153, 0.0000000000, -0.0215306821, 0.0000000000, -0.5658973489, 0.0000000000, 0.4234343163, 0.0000000000 ] - [ -0.1569712167, 0.0327140311, 0.6286868907, 0.0098549712, -0.2809341897, -0.0046350180, -0.1219025973, 0.0121871202, -0.4142384936, -0.0025941471, -0.5598060958, -0.0028472514 ] - [ 0.6782659772, -0.1192774248, 0.1444778181, 0.0071961257, -0.0692572461, -0.0024433310, 0.6957974421, -0.0198388562, -0.0901860642, -0.0051385921, -0.0851491240, -0.0078762151 ] - [ -0.0010977547, -0.0040968762, -0.0748922542, -0.2795016979, -0.1669838143, -0.6231920791, -0.0055725506, -0.0207970419, -0.1464650115, -0.5466148643, 0.1095928654, 0.4090061419 ] - [ 0.0722264679, 0.1431555379, -0.1531969695, -0.6098155586, 0.0682340351, 0.2725612202, -0.0433225680, -0.1145946082, -0.1047070577, -0.4007950739, -0.1421382455, -0.5414680885 ] - [ -0.2907612977, -0.6242833552, -0.0304426873, -0.1414173502, 0.0155650178, 0.0675297432, 0.1992484931, 0.6669540454, -0.0183783722, -0.0884430141, -0.0144303754, -0.0842862524 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00424139830589, 0.00000000000000 ] - [ -0.15697121666060, 0.03271403108665 ] - [ 0.67826597716031, -0.11927742484366 ] - # atom 2 - [ -0.00109775465943, -0.00409687616324 ] - [ 0.07222646791314, 0.14315553786927 ] - [ -0.29076129768325, -0.62428335523231 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.28936145019655, -0.00000000000000 ] - [ 0.62868689069668, 0.00985497124549 ] - [ 0.14447781810058, 0.00719612568943 ] - # atom 2 - [ -0.07489225422906, -0.27950169787738 ] - [ -0.15319696947460, -0.60981555862073 ] - [ -0.03044268726650, -0.14141735020865 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.64517591529796, 0.00000000000000 ] - [ -0.28093418967046, -0.00463501804138 ] - [ -0.06925724608404, -0.00244333097416 ] - # atom 2 - [ -0.16698381431991, -0.62319207908616 ] - [ 0.06823403507539, 0.27256122023386 ] - [ 0.01556501780772, 0.06752974323985 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.02153068211173, 0.00000000000000 ] - [ -0.12190259725383, 0.01218712023583 ] - [ 0.69579744207438, -0.01983885615867 ] - # atom 2 - [ -0.00557255058454, -0.02079704190935 ] - [ -0.04332256800051, -0.11459460815725 ] - [ 0.19924849306946, 0.66695404535881 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.56589734891174, 0.00000000000000 ] - [ -0.41423849361109, -0.00259414706370 ] - [ -0.09018606421033, -0.00513859209747 ] - # atom 2 - [ -0.14646501147081, -0.54661486434252 ] - [ -0.10470705771469, -0.40079507388802 ] - [ -0.01837837220267, -0.08844301409198 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.42343431630239, 0.00000000000000 ] - [ -0.55980609576409, -0.00284725136335 ] - [ -0.08514912400298, -0.00787621508723 ] - # atom 2 - [ 0.10959286540859, 0.40900614185364 ] - [ -0.14213824552187, -0.54146808849176 ] - [ -0.01443037539952, -0.08428625242828 ] - q-position: [ 0.3333333, 0.1666667, 0.0000000 ] dynamical_matrix: - [ -0.3346545969, 0.0000000000, -0.6225652695, 0.0000000000, 0.0204642629, 0.0000000000, -0.0000000000, 0.0000000000, -0.3137376936, 0.0000000000, -0.6336944529, 0.0000000000 ] - [ 0.4493325611, -0.0005948998, -0.2251859149, 0.0004499973, 0.4973683789, 0.0039613806, -0.1213454741, 0.0091748719, -0.6242305575, -0.0033598476, 0.3090521852, 0.0016634371 ] - [ -0.4301457715, -0.0328757004, 0.2476676144, 0.0190876726, 0.5003354080, 0.0430661879, 0.6942813401, -0.0562540530, -0.1090577009, -0.0000000000, 0.0539937053, 0.0000000000 ] - [ -0.3337953825, 0.0239654302, -0.6209668541, 0.0445834142, 0.0204117216, -0.0014654957, -0.0000000000, 0.0000000000, 0.3129321827, -0.0224675199, 0.6320674637, -0.0453804021 ] - [ 0.4481363127, -0.0327711708, -0.2245755323, 0.0165749534, 0.4963750865, -0.0316665503, 0.1203768887, -0.0178411604, 0.6228684734, -0.0413514483, -0.3083778269, 0.0204728130 ] - [ -0.4313956957, -0.0019875075, 0.2483986509, 0.0013025850, 0.5021348883, 0.0071253806, -0.6884703065, 0.1058287992, 0.1087776990, -0.0078098874, -0.0538550783, 0.0038666207 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.33465459685988, 0.00000000000000 ] - [ 0.44933256108261, -0.00059489981018 ] - [ -0.43014577153652, -0.03287570037213 ] - # atom 2 - [ -0.33379538246404, 0.02396543020967 ] - [ 0.44813631265620, -0.03277117077169 ] - [ -0.43139569568988, -0.00198750747185 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.62256526946389, 0.00000000000000 ] - [ -0.22518591491473, 0.00044999730113 ] - [ 0.24766761443068, 0.01908767261929 ] - # atom 2 - [ -0.62096685412194, 0.04458341423156 ] - [ -0.22457553226746, 0.01657495340382 ] - [ 0.24839865087427, 0.00130258498632 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.02046426294562, 0.00000000000000 ] - [ 0.49736837890550, 0.00396138063233 ] - [ 0.50033540803214, 0.04306618789489 ] - # atom 2 - [ 0.02041172164038, -0.00146549567828 ] - [ 0.49637508646837, -0.03166655025611 ] - [ 0.50213488827450, 0.00712538055475 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12134547406624, 0.00917487187822 ] - [ 0.69428134007298, -0.05625405297516 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12037688874600, -0.01784116044921 ] - [ -0.68847030648495, 0.10582879919088 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.31373769361519, 0.00000000000000 ] - [ -0.62423055748265, -0.00335984759001 ] - [ -0.10905770093898, -0.00000000000000 ] - # atom 2 - [ 0.31293218266329, -0.02246751985787 ] - [ 0.62286847343343, -0.04135144826521 ] - [ 0.10877769896829, -0.00780988740392 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63369445287538, 0.00000000000000 ] - [ 0.30905218516603, 0.00166343705394 ] - [ 0.05399370533909, 0.00000000000000 ] - # atom 2 - [ 0.63206746373020, -0.04538040214340 ] - [ -0.30837782687526, 0.02047281295821 ] - [ -0.05385507832083, 0.00386662065666 ] - q-position: [ 0.3333333, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.0235132298, 0.0000000000, -0.6911376684, 0.0000000000, -0.1475664300, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2549610901, -0.0000000000, -0.1294088994, 0.0000000000, 0.6467210985, -0.0000000000, -0.1229817144, 0.0000000000, -0.6963300208, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6591221211, 0.0000000000, -0.0747131849, 0.0000000000, 0.2448999172, -0.0000000000, -0.6963300208, 0.0000000000, 0.1229817144, -0.0000000000, -0.0000000000, -0.0000000000 ] - [ 0.0235132298, 0.0000000000, -0.6911376684, -0.0000000000, -0.1475664300, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, -0.0000000000 ] - [ 0.2549610901, 0.0000000000, -0.1294088994, -0.0000000000, 0.6467210985, 0.0000000000, 0.1229817144, 0.0000000000, 0.6963300208, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6591221211, -0.0000000000, -0.0747131849, -0.0000000000, 0.2448999172, 0.0000000000, 0.6963300208, 0.0000000000, -0.1229817144, -0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.02351322983046, 0.00000000000000 ] - [ 0.25496109008605, -0.00000000000002 ] - [ -0.65912212113164, 0.00000000000002 ] - # atom 2 - [ 0.02351322983046, 0.00000000000001 ] - [ 0.25496109008605, 0.00000000000011 ] - [ -0.65912212113164, -0.00000000000033 ] - # 2 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.69113766844634, 0.00000000000000 ] - [ -0.12940889944543, 0.00000000000001 ] - [ -0.07471318490656, 0.00000000000000 ] - # atom 2 - [ -0.69113766844634, -0.00000000000036 ] - [ -0.12940889944543, -0.00000000000006 ] - [ -0.07471318490656, -0.00000000000004 ] - # 3 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.14756643004932, 0.00000000000000 ] - [ 0.64672109853201, -0.00000000000005 ] - [ 0.24489991718260, -0.00000000000000 ] - # atom 2 - [ -0.14756643004932, -0.00000000000008 ] - [ 0.64672109853201, 0.00000000000028 ] - [ 0.24489991718260, 0.00000000000013 ] - # 4 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12298171439751, 0.00000000000000 ] - [ -0.69633002084058, 0.00000000000001 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.12298171439751, 0.00000000000006 ] - [ 0.69633002084058, 0.00000000000036 ] - # 5 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69633002084058, 0.00000000000005 ] - [ 0.12298171439751, -0.00000000000001 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69633002084058, 0.00000000000032 ] - [ -0.12298171439751, -0.00000000000006 ] - # 6 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, -0.00000000000037 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.1666667, 0.3333333 ] dynamical_matrix: - [ -0.0520829578, 0.0000000000, 0.5376326464, 0.0000000000, 0.4563315713, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1252491412, -0.0007378227, 0.4432350849, 0.0031685851, -0.5364980484, -0.0038173182, 0.4059534252, -0.0095020898, 0.5786636597, 0.0161212841, 0.0000000000, 0.0000000000 ] - [ -0.6939625371, -0.0039332979, -0.1203459363, -0.0007827369, 0.0625823075, 0.0004732680, 0.5763868290, -0.0537563972, -0.4057109304, 0.0169444423, -0.0000000000, -0.0000000000 ] - [ -0.0519492366, -0.0037297874, 0.5362522927, 0.0385011824, 0.4551599554, 0.0326790145, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7052913084, -0.0506376377 ] - [ -0.1248747310, -0.0097053242, 0.4418701837, 0.0349015931, -0.5348472403, -0.0422274484, -0.4055916212, -0.0195936194, -0.5760234759, -0.0575194064, 0.0000000000, 0.0000000000 ] - [ -0.6918991387, -0.0536195456, -0.1199808985, -0.0093989926, 0.0623877376, 0.0049537242, -0.5787566017, 0.0123419158, 0.4058827140, 0.0121530092, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.05208295779657, 0.00000000000000 ] - [ -0.12524914124903, -0.00073782271036 ] - [ -0.69396253710767, -0.00393329788754 ] - # atom 2 - [ -0.05194923655820, -0.00372978737454 ] - [ -0.12487473102106, -0.00970532422899 ] - [ -0.69189913865277, -0.05361954562233 ] - # 2 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.53763264642857, 0.00000000000000 ] - [ 0.44323508490868, 0.00316858513264 ] - [ -0.12034593633120, -0.00078273688170 ] - # atom 2 - [ 0.53625229273306, 0.03850118237563 ] - [ 0.44187018367664, 0.03490159313445 ] - [ -0.11998089850343, -0.00939899264644 ] - # 3 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.45633157133971, 0.00000000000000 ] - [ -0.53649804835643, -0.00381731817123 ] - [ 0.06258230746614, 0.00047326796314 ] - # atom 2 - [ 0.45515995541375, 0.03267901450668 ] - [ -0.53484724025786, -0.04222744838165 ] - [ 0.06238773763069, 0.00495372422275 ] - # 4 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.40595342519015, -0.00950208976308 ] - [ 0.57638682898046, -0.05375639724136 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.40559162123156, -0.01959361937566 ] - [ -0.57875660167392, 0.01234191579016 ] - # 5 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.57866365970571, 0.01612128414592 ] - [ -0.40571093035271, 0.01694444232846 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.57602347587091, -0.05751940639571 ] - [ 0.40588271397287, 0.01215300915407 ] - # 6 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529130836321, -0.05063763765529 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.1666667, 0.5000000 ] dynamical_matrix: - [ -0.0062595201, 0.0000000000, 0.7011603963, 0.0000000000, -0.0912957671, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.1604428850, 0.0000000000, -0.0875094259, 0.0000000000, -0.6830813868, 0.0000000000, -0.1991555017, 0.0000000000, 0.6784814560, -0.0000000000, 0.0000000000, -0.0000000000 ] - [ -0.6886355343, -0.0000000000, -0.0267618957, 0.0000000000, -0.1583189877, 0.0000000000, -0.6784814560, -0.0000000000, -0.1991555017, -0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0062595201, -0.0000000000, 0.7011603963, 0.0000000000, -0.0912957671, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, -0.0000000000 ] - [ 0.1604428850, 0.0000000000, -0.0875094259, 0.0000000000, -0.6830813868, 0.0000000000, 0.1991555017, 0.0000000000, -0.6784814560, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6886355343, -0.0000000000, -0.0267618957, -0.0000000000, -0.1583189877, -0.0000000000, 0.6784814560, 0.0000000000, 0.1991555017, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.00625952010268, 0.00000000000000 ] - [ 0.16044288495027, 0.00000000000000 ] - [ -0.68863553428277, -0.00000000000000 ] - # atom 2 - [ -0.00625952010268, -0.00000000000000 ] - [ 0.16044288495027, 0.00000000000000 ] - [ -0.68863553428277, -0.00000000000000 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.70116039628166, 0.00000000000000 ] - [ -0.08750942591629, 0.00000000000000 ] - [ -0.02676189570913, 0.00000000000000 ] - # atom 2 - [ 0.70116039628166, 0.00000000000000 ] - [ -0.08750942591629, 0.00000000000000 ] - [ -0.02676189570913, -0.00000000000000 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.09129576712109, 0.00000000000000 ] - [ -0.68308138683808, 0.00000000000000 ] - [ -0.15831898768352, 0.00000000000000 ] - # atom 2 - [ -0.09129576712109, -0.00000000000000 ] - [ -0.68308138683808, 0.00000000000000 ] - [ -0.15831898768352, -0.00000000000000 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19915550170100, 0.00000000000000 ] - [ -0.67848145600468, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19915550170100, 0.00000000000000 ] - [ 0.67848145600468, 0.00000000000000 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67848145600468, -0.00000000000000 ] - [ -0.19915550170100, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67848145600468, -0.00000000000000 ] - [ 0.19915550170100, 0.00000000000000 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, -0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0816384669, 0.0381984212, 0.7000903828, -0.0418269912, 0.0000000000, 0.0000000000, 0.2498341874, 0.0320415479, 0.0000000000, 0.0000000000, 0.6403066240, -0.1629835735 ] - [ 0.7008045763, -0.0273676310, 0.0850053897, 0.0299673553, -0.0000000000, 0.0000000000, 0.6604339365, -0.0195763517, 0.0000000000, 0.0000000000, -0.2313613256, 0.0995777034 ] - [ -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, -0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, 0.0000000000 ] - [ -0.0307167509, 0.0847374762, 0.4654625080, -0.5246148063, 0.0000000000, -0.0000000000, -0.1993162439, 0.1540026523, -0.0000000000, 0.0000000000, -0.3375183659, 0.5680119459 ] - [ 0.4761918307, -0.5148955056, 0.0812980077, -0.0389177673, 0.0000000000, -0.0000000000, -0.4531547440, 0.4808398860, -0.0000000000, 0.0000000000, 0.0931850929, -0.2340092316 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08163846693453, 0.03819842120447 ] - [ 0.70080457626049, -0.02736763099768 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03071675091064, 0.08473747623943 ] - [ 0.47619183069608, -0.51489550562457 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70009038283718, -0.04182699120133 ] - [ 0.08500538971701, 0.02996735532198 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.46546250803174, -0.52461480626348 ] - [ 0.08129800766864, -0.03891776734403 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.49999999999921, 0.50000000000079 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24983418741086, 0.03204154785511 ] - [ 0.66043393648989, -0.01957635165877 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.19931624385827, 0.15400265232270 ] - [ -0.45315474400816, 0.48083988602725 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.49999999999921, -0.50000000000079 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64030662404134, -0.16298357346856 ] - [ -0.23136132557814, 0.09957770340254 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.33751836587577, 0.56801194592046 ] - [ 0.09318509288933, -0.23400923155167 ] - q-position: [ 0.3333333, 0.1666667, 0.8333333 ] dynamical_matrix: - [ -0.0229715966, 0.0000000000, -0.6904241281, 0.0000000000, -0.1509530692, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0289629681, 0.0208634485, -0.1517538544, -0.0019916951, 0.6896792329, 0.0059346102, 0.2427970618, -0.0650973197, 0.0000000000, -0.0000000000, -0.6607002727, 0.0169432981 ] - [ -0.7032346072, -0.0604917839, 0.0157472682, 0.0057747495, 0.0349918541, -0.0172068943, -0.6544139558, 0.0924894603, -0.0000000000, 0.0000000000, -0.2502170523, -0.0240728267 ] - [ -0.0000000000, 0.0229715966, -0.0000000000, 0.6904241281, -0.0000000000, 0.1509530692, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.0208634485, -0.0289629681, -0.0019916951, 0.1517538544, 0.0059346102, -0.6896792329, 0.0650973197, 0.2427970618, 0.0000000000, -0.0000000000, -0.0169432981, -0.6607002727 ] - [ -0.0604917839, 0.7032346072, 0.0057747495, -0.0157472682, -0.0172068943, -0.0349918541, -0.0924894603, -0.6544139558, 0.0000000000, -0.0000000000, 0.0240728267, -0.2502170523 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.02297159660603, 0.00000000000000 ] - [ 0.02896296805401, 0.02086344854508 ] - [ -0.70323460724421, -0.06049178390294 ] - # atom 2 - [ -0.00000000000004, 0.02297159660603 ] - [ 0.02086344854513, -0.02896296805398 ] - [ -0.06049178390404, 0.70323460724412 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.69042412808697, 0.00000000000000 ] - [ -0.15175385437455, -0.00199169508225 ] - [ 0.01574726824009, 0.00577474947454 ] - # atom 2 - [ -0.00000000000108, 0.69042412808697 ] - [ -0.00199169508249, 0.15175385437455 ] - [ 0.00577474947456, -0.01574726824008 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.15095306921266, 0.00000000000000 ] - [ 0.68967923285527, 0.00593461015045 ] - [ 0.03499185409181, -0.01720689434557 ] - # atom 2 - [ -0.00000000000024, 0.15095306921266 ] - [ 0.00593461015153, -0.68967923285526 ] - [ -0.01720689434552, -0.03499185409184 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24279706178691, -0.06509731967135 ] - [ -0.65441395576499, 0.09248946026044 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.06509731967097, 0.24279706178702 ] - [ -0.09248946025941, -0.65441395576513 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66070027274774, 0.01694329809430 ] - [ -0.25021705228649, -0.02407282671010 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01694329809326, -0.66070027274776 ] - [ 0.02407282671049, -0.25021705228645 ] - q-position: [ 0.3333333, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.2713684400, 0.0000000000, 0.0156691170, 0.0000000000, 0.6527738112, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.6498977857, 0.0000000000, -0.0748835679, 0.0000000000, -0.2683753330, 0.0000000000, 0.2364001912, 0.0000000000, -0.6664194997, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0631825754, 0.0000000000, 0.7029558521, 0.0000000000, -0.0431396817, 0.0000000000, -0.6664194997, 0.0000000000, -0.2364001912, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.2713684400, 0.0000000000, 0.0156691170, 0.0000000000, 0.6527738112, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.6498977857, 0.0000000000, -0.0748835679, 0.0000000000, -0.2683753330, 0.0000000000, -0.2364001912, 0.0000000000, 0.6664194997, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0631825754, 0.0000000000, 0.7029558521, 0.0000000000, -0.0431396817, 0.0000000000, 0.6664194997, 0.0000000000, 0.2364001912, 0.0000000000, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.27136844003695, 0.00000000000000 ] - [ 0.64989778574873, 0.00000000000000 ] - [ 0.06318257537340, 0.00000000000000 ] - # atom 2 - [ 0.27136844003695, 0.00000000000000 ] - [ 0.64989778574873, 0.00000000000000 ] - [ 0.06318257537340, 0.00000000000000 ] - # 2 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.01566911700673, 0.00000000000000 ] - [ -0.07488356787333, 0.00000000000000 ] - [ 0.70295585212358, 0.00000000000000 ] - # atom 2 - [ 0.01566911700673, 0.00000000000000 ] - [ -0.07488356787333, 0.00000000000000 ] - [ 0.70295585212358, 0.00000000000000 ] - # 3 frequency: 644.4401121928 eigenvector: - # atom 1 - [ 0.65277381115065, 0.00000000000000 ] - [ -0.26837533296013, 0.00000000000000 ] - [ -0.04313968166775, 0.00000000000000 ] - # atom 2 - [ 0.65277381115065, 0.00000000000000 ] - [ -0.26837533296013, 0.00000000000000 ] - [ -0.04313968166775, 0.00000000000000 ] - # 4 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.23640019122568, 0.00000000000000 ] - [ -0.66641949970605, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.23640019122568, 0.00000000000000 ] - [ 0.66641949970605, 0.00000000000000 ] - # 5 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66641949970605, 0.00000000000000 ] - [ -0.23640019122568, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66641949970605, 0.00000000000000 ] - [ 0.23640019122568, 0.00000000000000 ] - # 6 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.3333333, 0.1666667 ] dynamical_matrix: - [ -0.0520829578, 0.0000000000, 0.5376326464, 0.0000000000, 0.4563315713, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1252491412, -0.0007378227, 0.4432350849, 0.0031685851, -0.5364980484, -0.0038173182, 0.4059534252, -0.0095020898, 0.5786636597, 0.0161212841, 0.0000000000, 0.0000000000 ] - [ -0.6939625371, -0.0039332979, -0.1203459363, -0.0007827369, 0.0625823075, 0.0004732680, 0.5763868290, -0.0537563972, -0.4057109304, 0.0169444423, -0.0000000000, -0.0000000000 ] - [ -0.0519492366, -0.0037297874, 0.5362522927, 0.0385011824, 0.4551599554, 0.0326790145, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7052913084, -0.0506376377 ] - [ -0.1248747310, -0.0097053242, 0.4418701837, 0.0349015931, -0.5348472403, -0.0422274484, -0.4055916212, -0.0195936194, -0.5760234759, -0.0575194064, 0.0000000000, 0.0000000000 ] - [ -0.6918991387, -0.0536195456, -0.1199808985, -0.0093989926, 0.0623877376, 0.0049537242, -0.5787566017, 0.0123419158, 0.4058827140, 0.0121530092, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.05208295779657, 0.00000000000000 ] - [ -0.12524914124903, -0.00073782271036 ] - [ -0.69396253710767, -0.00393329788754 ] - # atom 2 - [ -0.05194923655820, -0.00372978737454 ] - [ -0.12487473102106, -0.00970532422899 ] - [ -0.69189913865277, -0.05361954562233 ] - # 2 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.53763264642857, 0.00000000000000 ] - [ 0.44323508490868, 0.00316858513264 ] - [ -0.12034593633120, -0.00078273688170 ] - # atom 2 - [ 0.53625229273306, 0.03850118237563 ] - [ 0.44187018367664, 0.03490159313445 ] - [ -0.11998089850343, -0.00939899264644 ] - # 3 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.45633157133971, 0.00000000000000 ] - [ -0.53649804835643, -0.00381731817123 ] - [ 0.06258230746614, 0.00047326796314 ] - # atom 2 - [ 0.45515995541375, 0.03267901450668 ] - [ -0.53484724025786, -0.04222744838165 ] - [ 0.06238773763069, 0.00495372422275 ] - # 4 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.40595342519015, -0.00950208976308 ] - [ 0.57638682898046, -0.05375639724136 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.40559162123156, -0.01959361937566 ] - [ -0.57875660167392, 0.01234191579016 ] - # 5 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.57866365970571, 0.01612128414592 ] - [ -0.40571093035271, 0.01694444232846 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.57602347587091, -0.05751940639571 ] - [ 0.40588271397287, 0.01215300915407 ] - # 6 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70529130836321, -0.05063763765529 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.3333333, 0.3333333 ] dynamical_matrix: - [ -0.1765111873, 0.0000000000, -0.4466910720, 0.0000000000, -0.5189517193, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.2728859971, -0.0315757715, -0.4444039892, -0.0189726821, 0.4753404151, 0.0270707353, -0.0029182880, 0.0073143648, -0.7059781203, -0.0391519772, 0.0000000000, -0.0000000000 ] - [ -0.6238354340, 0.0648795448, 0.3168429068, -0.0471464773, -0.0605392822, 0.0185141404, -0.7069944814, -0.0098380380, 0.0024046877, 0.0074989209, -0.0000000000, 0.0000000000 ] - [ -0.1733305451, -0.0333574789, -0.4386419249, -0.0844166778, -0.5096004719, -0.0980726565, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, -0.6943650748, -0.1336306210 ] - [ -0.2620014696, -0.0825773982, -0.4328105543, -0.1026152638, 0.4616591333, 0.1164138291, 0.0042479869, -0.0066310591, 0.6858577236, 0.1718638025, 0.0000000000, 0.0000000000 ] - [ -0.6248553166, -0.0541833673, 0.3200434047, 0.0135807595, -0.0629472386, 0.0067396760, 0.6923955842, 0.1432701598, -0.0009441936, -0.0078182374, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.17651118733088, 0.00000000000000 ] - [ -0.27288599708500, -0.03157577154036 ] - [ -0.62383543396029, 0.06487954476699 ] - # atom 2 - [ -0.17333054506080, -0.03335747894976 ] - [ -0.26200146958976, -0.08257739815624 ] - [ -0.62485531661321, -0.05418336731686 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.44669107200038, 0.00000000000000 ] - [ -0.44440398918190, -0.01897268212855 ] - [ 0.31684290682860, -0.04714647727684 ] - # atom 2 - [ -0.43864192493635, -0.08441667781298 ] - [ -0.43281055429172, -0.10261526378482 ] - [ 0.32004340470879, 0.01358075953753 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ -0.51895171927858, 0.00000000000000 ] - [ 0.47534041514166, 0.02707073533494 ] - [ -0.06053928215760, 0.01851414040767 ] - # atom 2 - [ -0.50960047191897, -0.09807265654684 ] - [ 0.46165913330517, 0.11641382913786 ] - [ -0.06294723859094, 0.00673967602834 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00291828796400, 0.00731436482829 ] - [ -0.70699448135852, -0.00983803797058 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00424798691558, -0.00663105908941 ] - [ 0.69239558416906, 0.14327015978809 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70597812029925, -0.03915197723310 ] - [ 0.00240468770614, 0.00749892089024 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.68585772361916, 0.17186380251370 ] - [ -0.00094419360939, -0.00781823739152 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.69436507482950, -0.13363062095574 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.3333333, 0.5000000 ] dynamical_matrix: - [ 0.0042459086, 0.0000000000, 0.1629973130, 0.0000000000, -0.6880507599, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1220104831, 0.1612544074, 0.6590426521, -0.0125894208, 0.1568782902, -0.0019873102, -0.0318912878, 0.0057543035, 0.0000000000, -0.0000000000, 0.7062251920, -0.0139932827 ] - [ -0.4007251498, -0.5463623200, 0.1973224903, -0.0000000000, 0.0442723054, -0.0033715600, 0.7063243659, -0.0074648453, -0.0000000000, -0.0000000000, 0.0320513598, 0.0047829467 ] - [ 0.0041012327, 0.0010989220, 0.1574433143, 0.0421868089, -0.6646059988, -0.1780806407, -0.0000000000, -0.0000000000, -0.6830127019, -0.1830127019, 0.0000000000, -0.0000000000 ] - [ 0.0761173650, 0.1873384334, 0.6398447001, 0.1584123432, 0.1520471459, 0.0386834950, 0.0322939418, 0.0026958423, 0.0000000000, 0.0000000000, -0.6857828802, -0.1692680567 ] - [ -0.2456617975, -0.6314607760, 0.1905988895, 0.0510708185, 0.0436363871, 0.0082018389, -0.6841889909, -0.1755997110, 0.0000000000, 0.0000000000, -0.0297213185, -0.0129154741 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00424590855879, 0.00000000000000 ] - [ 0.12201048314799, 0.16125440735937 ] - [ -0.40072514977222, -0.54636231999445 ] - # atom 2 - [ 0.00410123273300, 0.00109892199877 ] - [ 0.07611736501952, 0.18733843341214 ] - [ -0.24566179746824, -0.63146077600620 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.16299731303827, 0.00000000000000 ] - [ 0.65904265206371, -0.01258942081418 ] - [ 0.19732249032156, -0.00000000000001 ] - # atom 2 - [ 0.15744331427944, 0.04218680891468 ] - [ 0.63984470012806, 0.15841234318585 ] - [ 0.19059888950933, 0.05107081852207 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.68805075990279, 0.00000000000000 ] - [ 0.15687829024985, -0.00198731020552 ] - [ 0.04427230541188, -0.00337156004448 ] - # atom 2 - [ -0.66460599878811, -0.17808064065941 ] - [ 0.15204714586616, 0.03868349502726 ] - [ 0.04363638713792, 0.00820183888929 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03189128777057, 0.00575430346507 ] - [ 0.70632436588295, -0.00746484534467 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.03229394181927, 0.00269584231862 ] - [ -0.68418899088772, -0.17559971100208 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.68301270189241, -0.18301270189150 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70622519198662, -0.01399328265380 ] - [ 0.03205135979236, 0.00478294673757 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.68578288017032, -0.16926805670673 ] - [ -0.02972131848374, -0.01291547411525 ] - q-position: [ 0.3333333, 0.3333333, 0.6666667 ] dynamical_matrix: - [ -0.0094607634, 0.0000000000, -0.1183681464, 0.0000000000, 0.6970649008, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.1673182801, 0.0000000000, -0.6777010419, -0.0000000000, -0.1128090905, -0.0000000000, -0.1407211821, -0.0000000000, 0.6929628770, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.6869607610, -0.0000000000, -0.1634327986, 0.0000000000, -0.0370760465, 0.0000000000, 0.6929628770, -0.0000000000, 0.1407211821, 0.0000000000, -0.0000000000, -0.0000000000 ] - [ -0.0094607634, 0.0000000000, -0.1183681464, 0.0000000000, 0.6970649008, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.1673182801, 0.0000000000, -0.6777010419, 0.0000000000, -0.1128090905, 0.0000000000, 0.1407211821, -0.0000000000, -0.6929628770, 0.0000000000, 0.0000000000, -0.0000000000 ] - [ -0.6869607610, 0.0000000000, -0.1634327986, 0.0000000000, -0.0370760465, 0.0000000000, -0.6929628770, 0.0000000000, -0.1407211821, 0.0000000000, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.00946076344340, 0.00000000000000 ] - [ 0.16731828008930, 0.00000000000129 ] - [ -0.68696076096312, -0.00000000000179 ] - # atom 2 - [ -0.00946076344340, 0.00000000000004 ] - [ 0.16731828008930, 0.00000000000050 ] - [ -0.68696076096312, 0.00000000000145 ] - # 2 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.11836814635424, 0.00000000000000 ] - [ -0.67770104194747, -0.00000000000222 ] - [ -0.16343279864206, 0.00000000000031 ] - # atom 2 - [ -0.11836814635424, 0.00000000000056 ] - [ -0.67770104194747, 0.00000000000097 ] - [ -0.16343279864206, 0.00000000000108 ] - # 3 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.69706490076874, 0.00000000000000 ] - [ -0.11280909046383, -0.00000000000036 ] - [ -0.03707604651247, 0.00000000000003 ] - # atom 2 - [ 0.69706490076874, -0.00000000000328 ] - [ -0.11280909046383, 0.00000000000017 ] - [ -0.03707604651247, 0.00000000000020 ] - # 4 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.14072118211422, -0.00000000000011 ] - [ 0.69296287700307, -0.00000000000043 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.14072118211422, -0.00000000000055 ] - [ -0.69296287700307, 0.00000000000369 ] - # 5 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69296287700307, 0.00000000000178 ] - [ 0.14072118211422, 0.00000000000017 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69296287700307, 0.00000000000148 ] - [ -0.14072118211422, 0.00000000000050 ] - # 6 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000333 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.0864139087, -0.0125238057, 0.0000000000, 0.0000000000, 0.7013813364, -0.0209764528, 0.1537365050, -0.0481604932, 0.6870584356, -0.0446806441, 0.0000000000, 0.0000000000 ] - [ -0.7015905198, 0.0121050926, -0.0000000000, 0.0000000000, 0.0869081550, 0.0084369370, -0.6874082402, 0.0389302616, 0.1584406539, 0.0291702802, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.1830127019, -0.6830127019 ] - [ 0.0102684980, -0.0867108256, 0.0000000000, -0.0000000000, 0.1612691503, -0.6829114524, 0.0067295288, 0.1609629135, -0.1346656201, 0.6752116888, -0.0000000000, 0.0000000000 ] - [ -0.1698923668, 0.6808174310, 0.0000000000, -0.0000000000, 0.0306429411, -0.0817631915, 0.1403105992, -0.6740612655, -0.0691837858, 0.1454920955, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08641390867061, -0.01252380566509 ] - [ -0.70159051975752, 0.01210509257750 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.01026849799041, -0.08671082555881 ] - [ -0.16989236682675, 0.68081743101505 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189258, 0.68301270189212 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70138133644224, -0.02097645276096 ] - [ 0.08690815504906, 0.00843693700571 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16126915028532, -0.68291145241984 ] - [ 0.03064294105005, -0.08176319149759 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.15373650495937, -0.04816049324782 ] - [ -0.68740824017879, 0.03893026158796 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00672952882382, 0.16096291345775 ] - [ 0.14031059922703, -0.67406126552232 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.68705843563181, -0.04468064413342 ] - [ 0.15844065393722, 0.02917028019992 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13466562013650, 0.67521168879564 ] - [ -0.06918378576272, 0.14549209550534 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189258, -0.68301270189212 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0267861867, 0.0273011457, 0.7059621699, -0.0124323113, 0.0000000000, 0.0000000000, 0.2292196394, -0.0032352103, 0.0000000000, 0.0000000000, 0.6683680366, 0.0270565706 ] - [ 0.7054414365, -0.0298249444, -0.0251048856, 0.0288547582, -0.0000000000, 0.0000000000, 0.6688914116, 0.0056718431, 0.0000000000, 0.0000000000, -0.2287869401, -0.0144445750 ] - [ -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019, -0.0000000000, 0.0000000000, 0.6830127019, -0.1830127019, -0.0000000000, 0.0000000000 ] - [ 0.0329395259, 0.0194381065, 0.6786893733, -0.1947251452, 0.0000000000, -0.0000000000, -0.2205718356, 0.0624513814, -0.0000000000, 0.0000000000, -0.6525967038, 0.1468517367 ] - [ 0.6736848388, -0.2113903630, -0.0167812964, 0.0343691787, 0.0000000000, -0.0000000000, -0.6475674705, 0.1676432567, -0.0000000000, 0.0000000000, 0.2247297452, -0.0452620293 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.02678618666615, 0.02730114569651 ] - [ 0.70544143650702, -0.02982494436639 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.03293952594802, 0.01943810646066 ] - [ 0.67368483883533, -0.21139036300398 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70596216986704, -0.01243231129615 ] - [ -0.02510488559982, 0.02885475821206 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67868937331945, -0.19472514524527 ] - [ -0.01678129639977, 0.03436917868672 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.22921963942782, -0.00323521032888 ] - [ 0.66889141159850, 0.00567184312832 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22057183556794, 0.06245138140571 ] - [ -0.64756747046830, 0.16764325666723 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66836803656413, 0.02705657062746 ] - [ -0.22878694005098, -0.01444457501622 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.65259670375688, 0.14685173666104 ] - [ 0.22472974522548, -0.04526202929810 ] - q-position: [ 0.3333333, 0.5000000, 0.1666667 ] dynamical_matrix: - [ -0.0091727865, 0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, 0.0000000000, 0.1750441813, 0.0000000000, -0.6768281195, 0.0000000000, 0.1061283719, 0.0000000000 ] - [ 0.1557365117, 0.0000000000, 0.2030119447, 0.0000000000, 0.6591906319, 0.0000000000, -0.2359104349, -0.0000000000, 0.0432906658, 0.0000000000, 0.6651858274, 0.0000000000 ] - [ -0.6896825349, 0.0000000000, 0.0368466621, 0.0000000000, 0.1515926271, 0.0000000000, -0.6431996590, 0.0000000000, -0.2000740237, 0.0000000000, -0.2150920355, 0.0000000000 ] - [ -0.0091727865, 0.0000000000, 0.6763345872, -0.0000000000, -0.2061246860, 0.0000000000, -0.1750441813, 0.0000000000, 0.6768281195, -0.0000000000, -0.1061283719, 0.0000000000 ] - [ 0.1557365117, -0.0000000000, 0.2030119447, 0.0000000000, 0.6591906319, 0.0000000000, 0.2359104349, -0.0000000000, -0.0432906658, 0.0000000000, -0.6651858274, 0.0000000000 ] - [ -0.6896825349, 0.0000000000, 0.0368466621, -0.0000000000, 0.1515926271, -0.0000000000, 0.6431996590, -0.0000000000, 0.2000740237, -0.0000000000, 0.2150920355, -0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.00917278651260, 0.00000000000000 ] - [ 0.15573651170999, 0.00000000000000 ] - [ -0.68968253487238, 0.00000000000000 ] - # atom 2 - [ -0.00917278651260, 0.00000000000000 ] - [ 0.15573651170999, -0.00000000000000 ] - [ -0.68968253487238, 0.00000000000000 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, 0.00000000000000 ] - [ 0.03684666210075, 0.00000000000000 ] - # atom 2 - [ 0.67633458717782, -0.00000000000000 ] - [ 0.20301194467084, 0.00000000000000 ] - [ 0.03684666210075, -0.00000000000000 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.20612468599030, 0.00000000000000 ] - [ 0.65919063194297, 0.00000000000000 ] - [ 0.15159262707676, 0.00000000000000 ] - # atom 2 - [ -0.20612468599030, 0.00000000000000 ] - [ 0.65919063194297, 0.00000000000000 ] - [ 0.15159262707676, -0.00000000000000 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.17504418127870, 0.00000000000000 ] - [ -0.23591043494174, -0.00000000000000 ] - [ -0.64319965895985, 0.00000000000000 ] - # atom 2 - [ -0.17504418127870, 0.00000000000000 ] - [ 0.23591043494174, -0.00000000000000 ] - [ 0.64319965895985, -0.00000000000000 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ -0.67682811945392, 0.00000000000000 ] - [ 0.04329066578701, 0.00000000000000 ] - [ -0.20007402373168, 0.00000000000000 ] - # atom 2 - [ 0.67682811945392, -0.00000000000000 ] - [ -0.04329066578701, 0.00000000000000 ] - [ 0.20007402373168, -0.00000000000000 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.10612837187547, 0.00000000000000 ] - [ 0.66518582737557, 0.00000000000000 ] - [ -0.21509203551444, 0.00000000000000 ] - # atom 2 - [ -0.10612837187547, 0.00000000000000 ] - [ -0.66518582737557, 0.00000000000000 ] - [ 0.21509203551444, -0.00000000000000 ] - q-position: [ 0.3333333, 0.5000000, 0.3333333 ] dynamical_matrix: - [ 0.0341502430, 0.0000000000, -0.5934520442, 0.0000000000, -0.3829470357, 0.0000000000, -0.0020689994, 0.0000000000, 0.6846711573, 0.0000000000, 0.1766950072, 0.0000000000 ] - [ -0.0663930958, -0.0314493537, -0.3839792978, 0.0037264448, 0.5891309708, -0.0085794355, -0.1567573658, 0.0088774303, 0.1718333428, -0.0015668882, -0.6676683537, 0.0061754466 ] - [ 0.5975932759, -0.3692139386, 0.0030324603, 0.0187480094, 0.0485924529, -0.0619793026, 0.6878626873, -0.0467863465, 0.0411748693, -0.0009400197, -0.1514930068, 0.0030946174 ] - [ 0.0329866017, 0.0088387333, -0.5732306562, -0.1535966914, -0.3698984318, -0.0991139861, 0.0019984999, 0.0005354964, -0.6613415534, -0.1772059351, -0.1706742709, -0.0457320330 ] - [ -0.0559911142, -0.0475615406, -0.3718599954, -0.0957816859, 0.5712773410, 0.1441912170, 0.1537136361, 0.0319968526, -0.1663838042, -0.0429602439, 0.6465164294, 0.1668402624 ] - [ 0.6727903778, -0.2019647577, -0.0019232102, 0.0188940450, 0.0629781292, -0.0472907569, -0.6765335321, -0.1328398235, -0.0400151646, -0.0097488511, 0.1471319537, 0.0362201045 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.03415024297468, 0.00000000000000 ] - [ -0.06639309577485, -0.03144935371916 ] - [ 0.59759327589655, -0.36921393864815 ] - # atom 2 - [ 0.03298660166330, 0.00883873327669 ] - [ -0.05599111419758, -0.04756154062722 ] - [ 0.67279037784441, -0.20196475773963 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.59345204421399, 0.00000000000000 ] - [ -0.38397929782080, 0.00372644484426 ] - [ 0.00303246029896, 0.01874800940467 ] - # atom 2 - [ -0.57323065617050, -0.15359669139700 ] - [ -0.37185999542177, -0.09578168588542 ] - [ -0.00192321017171, 0.01889404495437 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.38294703566291, 0.00000000000000 ] - [ 0.58913097077385, -0.00857943547126 ] - [ 0.04859245293876, -0.06197930264567 ] - # atom 2 - [ -0.36989843184775, -0.09911398609473 ] - [ 0.57127734103355, 0.14419121699874 ] - [ 0.06297812918311, -0.04729075685211 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00206899935097, 0.00000000000000 ] - [ -0.15675736579166, 0.00887743025360 ] - [ 0.68786268725925, -0.04678634651605 ] - # atom 2 - [ 0.00199849990768, 0.00053549643633 ] - [ 0.15371363610044, 0.03199685257380 ] - [ -0.67653353209357, -0.13283982345982 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.68467115731284, 0.00000000000000 ] - [ 0.17183334283544, -0.00156688823987 ] - [ 0.04117486925479, -0.00094001967165 ] - # atom 2 - [ -0.66134155336389, -0.17720593514426 ] - [ -0.16638380418041, -0.04296024389147 ] - [ -0.04001516460108, -0.00974885106464 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.17669500724575, 0.00000000000000 ] - [ -0.66766835368517, 0.00617544660153 ] - [ -0.15149300678401, 0.00309461735467 ] - # atom 2 - [ -0.17067427087506, -0.04573203304955 ] - [ 0.64651642941307, 0.16684026238400 ] - [ 0.14713195366359, 0.03622010453003 ] - q-position: [ 0.3333333, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0888162345, 0.0000000000, -0.5382364317, 0.0000000000, -0.4499035675, 0.0000000000, -0.0000000000, 0.0000000000, -0.5000000000, 0.0000000000, -0.5000000000, 0.0000000000 ] - [ 0.1105362101, -0.0180147533, 0.4567784337, -0.0400073282, -0.5246399480, 0.0443059367, -0.1052873765, 0.0256542120, -0.4940697686, -0.0048247987, 0.4940697686, 0.0048247987 ] - [ 0.6852505968, -0.1000025549, -0.0056621849, -0.0047285758, 0.1420503782, -0.0140847041, 0.6772435889, -0.1720393882, -0.0766275742, 0.0000000000, 0.0766275742, -0.0000000000 ] - [ 0.0769171154, 0.0444081173, -0.4661264231, -0.2691182158, -0.3896279187, -0.2249517838, -0.0000000000, -0.0000000000, 0.4330127019, 0.2500000000, 0.4330127019, 0.2500000000 ] - [ 0.1047345426, 0.0396668711, 0.4155853916, 0.1937418543, -0.4765044912, -0.2239499072, 0.1040086487, 0.0304264889, 0.4254645715, 0.2512132825, -0.4254645715, -0.2512132825 ] - [ 0.6434457022, 0.2560205454, -0.0025393081, -0.0069261592, 0.1300615882, 0.0588274776, -0.6725298466, -0.1896313138, 0.0663614258, 0.0383137871, -0.0663614258, -0.0383137871 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.08881623453442, 0.00000000000000 ] - [ 0.11053621013403, -0.01801475325066 ] - [ 0.68525059679981, -0.10000255488313 ] - # atom 2 - [ 0.07691711537531, 0.04440811726717 ] - [ 0.10473454263947, 0.03966687110898 ] - [ 0.64344570222878, 0.25602054542743 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.53823643169669, 0.00000000000000 ] - [ 0.45677843372922, -0.04000732817035 ] - [ -0.00566218490912, -0.00472857579156 ] - # atom 2 - [ -0.46612642309177, -0.26911821584810 ] - [ 0.41558539159565, 0.19374185433132 ] - [ -0.00253930807644, -0.00692615921377 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.44990356753146, 0.00000000000000 ] - [ -0.52463994801753, 0.04430593674931 ] - [ 0.14205037819987, -0.01408470406725 ] - # atom 2 - [ -0.38962791873561, -0.22495178376553 ] - [ -0.47650449119811, -0.22394990724515 ] - [ 0.13006158817193, 0.05882747757284 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.10528737649315, 0.02565421199564 ] - [ 0.67724358886219, -0.17203938823168 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.10400864873872, 0.03042648894423 ] - [ -0.67252984662074, -0.18963131377057 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.50000000000000, 0.00000000000000 ] - [ -0.49406976855159, -0.00482479869154 ] - [ -0.07662757415555, 0.00000000000000 ] - # atom 2 - [ 0.43301270189235, 0.24999999999977 ] - [ 0.42546457146194, 0.25121328251059 ] - [ 0.06636142584910, 0.03831378707774 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.50000000000000, 0.00000000000000 ] - [ 0.49406976855159, 0.00482479869154 ] - [ 0.07662757415555, -0.00000000000000 ] - # atom 2 - [ 0.43301270189235, 0.24999999999977 ] - [ -0.42546457146194, -0.25121328251059 ] - [ -0.06636142584910, -0.03831378707774 ] - q-position: [ 0.3333333, 0.5000000, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1473261288, 0.4496278413, -0.4967938952, -0.1712473116, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3372867487, 0.4623484506, -0.4116026755, -0.0552702167 ] - [ -0.4151571717, -0.3221402472, -0.4569648838, 0.1226918047, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.3044283482, -0.2824799819, -0.5713038958, 0.0337683186 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2137595909, 0.4221102003, -0.2301961969, -0.4723764674, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0884319775, -0.5654274719, 0.2519650980, 0.3301289880 ] - [ -0.0657728981, -0.5213480046, -0.4098791752, -0.2363667610, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0155198386, 0.4150068601, 0.4278506659, 0.3800950517 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14732612880343, 0.44962784134245 ] - [ -0.41515717170566, -0.32214024716400 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21375959090064, 0.42211020034638 ] - [ -0.06577289810852, -0.52134800463408 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.49679389522899, -0.17124731158395 ] - [ -0.45696488377956, 0.12269180466031 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23019619688752, -0.47237646744948 ] - [ -0.40987917515597, -0.23636676101333 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33728674873505, 0.46234845062128 ] - [ -0.30442834815155, -0.28247998190591 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08843197747049, -0.56542747194032 ] - [ 0.01551983860826, 0.41500686011850 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41160267550626, -0.05527021668068 ] - [ -0.57130389576802, 0.03376831864996 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25196509799244, 0.33012898801756 ] - [ 0.42785066592251, 0.38009505170921 ] - q-position: [ 0.3333333, 0.5000000, 0.8333333 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, 0.2259240252, 0.0000000000, -0.1750502131, 0.0000000000, 0.9494146122, 0.0000000000, 0.0000000000, 0.0000000000, -0.1301063100, 0.0000000000 ] - [ 0.0067486118, 0.1515435306, -0.5476429301, -0.0342781126, -0.4236346264, -0.0364347559, 0.1439930096, 0.0061342293, -0.1567378211, 0.0030971366, 0.6697653925, 0.0342611326 ] - [ -0.3305944320, 0.8107536751, 0.0813308112, -0.0127062644, -0.0499276358, -0.0482432703, -0.0394995765, -0.0108842938, 0.2561326174, 0.3831384707, -0.0798350795, -0.0365805719 ] - [ 0.0464366907, -0.0252854648, 0.6159070929, 0.4614943072, -0.3608427205, -0.2682394034, -0.1699860781, -0.1263296859, -0.0027545256, -0.0334332883, 0.3145622854, 0.2404092970 ] - [ 0.0154562622, 0.0899006407, -0.0961394037, -0.1016257528, -0.4841506291, -0.4634101068, -0.1274777990, -0.1164308463, -0.2576171972, -0.2568608696, -0.4457801887, -0.4026000583 ] - [ -0.0717029437, 0.4405868361, 0.1296288070, 0.1113627772, 0.2664411188, 0.2478749238, 0.0255357431, 0.0291261482, -0.5762111409, -0.5454684959, 0.0529543484, 0.0724158524 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00674861183713, 0.15154353061564 ] - [ -0.33059443195159, 0.81075367505672 ] - # atom 2 - [ 0.04643669068547, -0.02528546475207 ] - [ 0.01545626216415, 0.08990064071488 ] - [ -0.07170294371648, 0.44058683612117 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.22592402522466, 0.00000000000000 ] - [ -0.54764293011039, -0.03427811256652 ] - [ 0.08133081116856, -0.01270626439026 ] - # atom 2 - [ 0.61590709287353, 0.46149430719099 ] - [ -0.09613940366063, -0.10162575278524 ] - [ 0.12962880695013, 0.11136277720519 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.17505021305861, 0.00000000000000 ] - [ -0.42363462636311, -0.03643475588132 ] - [ -0.04992763578270, -0.04824327031779 ] - # atom 2 - [ -0.36084272047087, -0.26823940344551 ] - [ -0.48415062910868, -0.46341010680361 ] - [ 0.26644111878917, 0.24787492382063 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.94941461218386, 0.00000000000000 ] - [ 0.14399300957970, 0.00613422929624 ] - [ -0.03949957651822, -0.01088429380628 ] - # atom 2 - [ -0.16998607814790, -0.12632968585213 ] - [ -0.12747779904727, -0.11643084631261 ] - [ 0.02553574309758, 0.02912614818263 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15673782105588, 0.00309713663439 ] - [ 0.25613261742788, 0.38313847069568 ] - # atom 2 - [ -0.00275452557174, -0.03343328825332 ] - [ -0.25761719720925, -0.25686086961613 ] - [ -0.57621114092876, -0.54546849589593 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.13010631001682, 0.00000000000000 ] - [ 0.66976539249730, 0.03426113260295 ] - [ -0.07983507951972, -0.03658057192775 ] - # atom 2 - [ 0.31456228540140, 0.24040929696686 ] - [ -0.44578018865337, -0.40260005834919 ] - [ 0.05295434839825, 0.07241585238799 ] - q-position: [ 0.3333333, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.0079408955, 0.0000000000, 0.2293803513, 0.0000000000, -0.6688210498, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1668412374, 0.1197063436, 0.6404663978, -0.0154826638, 0.2176748751, -0.0038886983, -0.2049316127, -0.0096095348, -0.6765977714, 0.0112315043, 0.0000000000, 0.0000000000 ] - [ 0.6179082587, -0.2756097219, 0.1888836305, 0.0356470054, 0.0721163583, 0.0089532688, -0.6765243807, 0.0150151002, 0.2044048077, -0.0175494618, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0079408955, 0.0000000000, -0.2293803513, -0.0000000000, 0.6688210498, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.1197063436, 0.1668412374, -0.0154826638, -0.6404663978, -0.0038886983, -0.2176748751, 0.0096095348, -0.2049316127, -0.0112315043, -0.6765977714, 0.0000000000, -0.0000000000 ] - [ -0.2756097219, -0.6179082587, 0.0356470054, -0.1888836305, 0.0089532688, -0.0721163583, -0.0150151002, -0.6765243807, 0.0175494618, 0.2044048077, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.00794089553789, 0.00000000000000 ] - [ -0.16684123737984, 0.11970634363579 ] - [ 0.61790825870587, -0.27560972189684 ] - # atom 2 - [ 0.00000000000000, -0.00794089553789 ] - [ 0.11970634363579, 0.16684123737984 ] - [ -0.27560972189684, -0.61790825870587 ] - # 2 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.22938035129723, 0.00000000000000 ] - [ 0.64046639778641, -0.01548266384872 ] - [ 0.18888363050216, 0.03564700539641 ] - # atom 2 - [ 0.00000000000000, -0.22938035129723 ] - [ -0.01548266384872, -0.64046639778641 ] - [ 0.03564700539641, -0.18888363050216 ] - # 3 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.66882104977103, 0.00000000000000 ] - [ 0.21767487511153, -0.00388869833492 ] - [ 0.07211635828414, 0.00895326875816 ] - # atom 2 - [ -0.00000000000000, 0.66882104977103 ] - [ -0.00388869833492, -0.21767487511153 ] - [ 0.00895326875816, -0.07211635828414 ] - # 4 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.20493161266378, -0.00960953477308 ] - [ -0.67652438074127, 0.01501510023630 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00960953477308, -0.20493161266378 ] - [ -0.01501510023630, -0.67652438074127 ] - # 5 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67659777141415, 0.01123150434599 ] - [ 0.20440480771630, -0.01754946181495 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01123150434599, -0.67659777141415 ] - [ 0.01754946181495, 0.20440480771630 ] - # 6 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2737849458, 0.0408642866, 0.6276662311, -0.1714847394, 0.0000000000, 0.0000000000, 0.1721902099, 0.0184260902, 0.0000000000, 0.0000000000, 0.6830500382, -0.0587678155 ] - [ 0.6500113343, -0.0292776162, -0.2480585355, 0.1228619121, -0.0000000000, 0.0000000000, 0.6854810529, -0.0112577465, 0.0000000000, 0.0000000000, -0.1694101621, 0.0359052386 ] - [ 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, -0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, 0.0000000000 ] - [ 0.2224906059, -0.1646997776, 0.3225690262, -0.5650850704, 0.0000000000, -0.0000000000, -0.1347860784, 0.1087276517, -0.0000000000, 0.0000000000, -0.4414341931, 0.5245444347 ] - [ 0.4389250214, -0.4803298233, -0.0885273813, 0.2622803638, 0.0000000000, -0.0000000000, -0.4767478720, 0.4926687298, -0.0000000000, 0.0000000000, 0.0944022367, -0.1451799122 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.27378494584184, 0.04086428658997 ] - [ 0.65001133428592, -0.02927761622326 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.22249060594742, -0.16469977763579 ] - [ 0.43892502135249, -0.48032982329082 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.62766623109520, -0.17148473942195 ] - [ -0.24805853549368, 0.12286191214879 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.32256902621306, -0.56508507044500 ] - [ -0.08852738134842, 0.26228036380888 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.49999999999921, 0.50000000000079 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.17219020991322, 0.01842609024802 ] - [ 0.68548105294934, -0.01125774647411 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.13478607844853, 0.10872765171865 ] - [ -0.47674787204188, 0.49266872978884 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.49999999999921, -0.50000000000079 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68305003819101, -0.05876781547298 ] - [ -0.16941016212261, 0.03590523863420 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.44143419305731, 0.52454443473175 ] - [ 0.09440223672022, -0.14517991215732 ] - q-position: [ 0.3333333, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.0789137670, 0.0000000000, 0.0302717755, 0.0000000000, 0.7020372048, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5696423867, 0.0000000000, 0.4108827893, 0.0000000000, -0.0817489127, -0.0000000000, -0.2864572034, -0.0000000000, 0.0000000000, 0.0000000000, 0.6464845479, 0.0000000000 ] - [ 0.4114367128, -0.0000000000, -0.5746816102, 0.0000000000, -0.0214680762, -0.0000000000, -0.6464845479, -0.0000000000, -0.0000000000, -0.0000000000, -0.2864572034, -0.0000000000 ] - [ 0.0789137670, -0.0000000000, 0.0302717755, -0.0000000000, 0.7020372048, -0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5696423867, -0.0000000000, 0.4108827893, -0.0000000000, -0.0817489127, 0.0000000000, 0.2864572034, -0.0000000000, 0.0000000000, -0.0000000000, -0.6464845479, 0.0000000000 ] - [ 0.4114367128, -0.0000000000, -0.5746816102, 0.0000000000, -0.0214680762, 0.0000000000, 0.6464845479, -0.0000000000, 0.0000000000, -0.0000000000, 0.2864572034, -0.0000000000 ] band: - # 1 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.07891376704126, 0.00000000000000 ] - [ 0.56964238672061, 0.00000000000189 ] - [ 0.41143671277927, -0.00000000000031 ] - # atom 2 - [ 0.07891376704126, -0.00000000000037 ] - [ 0.56964238672060, -0.00000000000079 ] - [ 0.41143671277927, -0.00000000000225 ] - # 2 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.03027177550980, 0.00000000000000 ] - [ 0.41088278927936, 0.00000000000065 ] - [ -0.57468161018210, 0.00000000000141 ] - # atom 2 - [ 0.03027177550980, -0.00000000000014 ] - [ 0.41088278927936, -0.00000000000128 ] - [ -0.57468161018210, 0.00000000000412 ] - # 3 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.70203720483949, 0.00000000000000 ] - [ -0.08174891268551, -0.00000000000024 ] - [ -0.02146807620386, -0.00000000000003 ] - # atom 2 - [ 0.70203720483949, -0.00000000000331 ] - [ -0.08174891268551, 0.00000000000014 ] - [ -0.02146807620386, 0.00000000000007 ] - # 4 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28645720335067, -0.00000000000074 ] - [ -0.64648454788070, -0.00000000000006 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.28645720335067, -0.00000000000061 ] - [ 0.64648454788070, -0.00000000000299 ] - # 5 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000333 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64648454788070, 0.00000000000182 ] - [ -0.28645720335067, -0.00000000000009 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64648454788070, 0.00000000000123 ] - [ 0.28645720335067, -0.00000000000126 ] - q-position: [ 0.3333333, 0.6666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1473261288, 0.4496278413, -0.4967938952, -0.1712473116, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3372867487, 0.4623484506, -0.4116026755, -0.0552702167 ] - [ -0.4151571717, -0.3221402472, -0.4569648838, 0.1226918047, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.3044283482, -0.2824799819, -0.5713038958, 0.0337683186 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2137595909, 0.4221102003, -0.2301961969, -0.4723764674, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0884319775, -0.5654274719, 0.2519650980, 0.3301289880 ] - [ -0.0657728981, -0.5213480046, -0.4098791752, -0.2363667610, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0155198386, 0.4150068601, 0.4278506659, 0.3800950517 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14732612880343, 0.44962784134245 ] - [ -0.41515717170566, -0.32214024716400 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21375959090064, 0.42211020034638 ] - [ -0.06577289810852, -0.52134800463408 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.49679389522899, -0.17124731158395 ] - [ -0.45696488377956, 0.12269180466031 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23019619688752, -0.47237646744948 ] - [ -0.40987917515597, -0.23636676101333 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33728674873505, 0.46234845062128 ] - [ -0.30442834815155, -0.28247998190591 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08843197747049, -0.56542747194032 ] - [ 0.01551983860826, 0.41500686011850 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41160267550626, -0.05527021668068 ] - [ -0.57130389576802, 0.03376831864996 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25196509799244, 0.33012898801756 ] - [ 0.42785066592251, 0.38009505170921 ] - q-position: [ 0.3333333, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.0623872717, 0.0000000000, 0.1172123966, 0.0000000000, -0.6945279565, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.1581595533, 0.1151526929, 0.6630782340, -0.0783594212, 0.1261117442, -0.0028805654, -0.2975556256, -0.0297276375, -0.6390858774, 0.0463266497, 0.0000000000, 0.0000000000 ] - [ 0.6225284908, -0.2651254788, -0.0888782680, 0.1804133150, 0.0409201948, 0.0066321617, -0.6390769197, 0.0464500590, 0.2901435799, -0.0723863647, -0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0623872717, -0.0000000000, 0.1172123966, 0.0000000000, -0.6945279565, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812 ] - [ -0.1151526929, 0.1581595533, 0.0783594212, 0.6630782340, 0.0028805654, 0.1261117442, -0.0297276376, 0.2975556256, 0.0463266497, 0.6390858774, -0.0000000000, 0.0000000000 ] - [ 0.2651254788, 0.6225284908, -0.1804133150, -0.0888782680, -0.0066321617, 0.0409201948, 0.0464500590, 0.6390769197, -0.0723863647, -0.2901435799, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.06238727172540, 0.00000000000000 ] - [ 0.15815955329536, 0.11515269293588 ] - [ 0.62252849076257, -0.26512547883326 ] - # atom 2 - [ -0.00000000000029, 0.06238727172540 ] - [ -0.11515269293662, 0.15815955329482 ] - [ 0.26512547883033, 0.62252849076382 ] - # 2 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.11721239661647, 0.00000000000000 ] - [ 0.66307823403038, -0.07835942118326 ] - [ -0.08887826800500, 0.18041331498211 ] - # atom 2 - [ -0.00000000000055, 0.11721239661647 ] - [ 0.07835942118013, 0.66307823403075 ] - [ -0.18041331498170, -0.08887826800585 ] - # 3 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.69452795653313, 0.00000000000000 ] - [ 0.12611174418310, -0.00288056541346 ] - [ 0.04092019484987, 0.00663216174086 ] - # atom 2 - [ 0.00000000000327, -0.69452795653313 ] - [ 0.00288056541286, 0.12611174418312 ] - [ -0.00663216174106, 0.04092019484984 ] - # 4 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.29755562562062, -0.02972763754907 ] - [ -0.63907691965993, 0.04645005904455 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02972763755047, 0.29755562562048 ] - [ 0.04645005904154, 0.63907691966015 ] - # 5 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.63908587744974, 0.04632664969075 ] - [ 0.29014357993600, -0.07238636470119 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.04632664968773, 0.63908587744996 ] - [ -0.07238636469983, -0.29014357993634 ] - # 6 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000333, -0.70710678118655 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.3333333, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.0863709037, -0.1169199195, 0.0000000000, 0.0000000000, 0.6813793201, 0.1207974399, -0.3909655191, -0.2529292940, 0.5249309857, 0.0872937306, 0.0000000000, 0.0000000000 ] - [ 0.6869153165, 0.0837684154, -0.0000000000, 0.0000000000, 0.1167899974, -0.0865465026, 0.5092079228, 0.1545316358, 0.4625827347, -0.0533336521, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.5000000000, 0.5000000000 ] - [ 0.1437483197, 0.0216014162, -0.0000000000, 0.0000000000, -0.5672246267, 0.3963912490, -0.4553023887, 0.0976063509, 0.4329082485, -0.3094562708, 0.0000000000, -0.0000000000 ] - [ -0.5449556929, 0.4264892638, -0.0000000000, 0.0000000000, -0.0213853802, 0.1437806180, 0.4693347428, -0.2507940077, 0.2893828015, -0.3648079756, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08637090374348, -0.11691991952222 ] - [ 0.68691531646386, 0.08376841536527 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14374831968414, 0.02160141621595 ] - [ -0.54495569292720, 0.42648926381761 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000079, -0.49999999999921 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68137932014964, 0.12079743986472 ] - [ 0.11678999736280, -0.08654650258992 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.56722462671703, 0.39639124895888 ] - [ -0.02138538024091, 0.14378061797927 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.39096551911070, -0.25292929395135 ] - [ 0.50920792282541, 0.15453163578892 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45530238868717, 0.09760635085886 ] - [ 0.46933474283835, -0.25079400768884 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.52493098568484, 0.08729373056360 ] - [ 0.46258273467807, -0.05333365213436 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.43290824846977, -0.30945627079542 ] - [ 0.28938280146160, -0.36480797563988 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000079, 0.49999999999921 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.0042413983, 0.0000000000, 0.2893614502, -0.0000000000, 0.6451759153, 0.0000000000, -0.0215306821, 0.0000000000, -0.5658973489, 0.0000000000, 0.4234343163, 0.0000000000 ] - [ -0.1569712167, 0.0327140311, 0.6286868907, 0.0098549712, -0.2809341897, -0.0046350180, -0.1219025973, 0.0121871202, -0.4142384936, -0.0025941471, -0.5598060958, -0.0028472514 ] - [ 0.6782659772, -0.1192774248, 0.1444778181, 0.0071961257, -0.0692572461, -0.0024433310, 0.6957974421, -0.0198388562, -0.0901860642, -0.0051385921, -0.0851491240, -0.0078762151 ] - [ -0.0010977547, -0.0040968762, -0.0748922542, -0.2795016979, -0.1669838143, -0.6231920791, -0.0055725506, -0.0207970419, -0.1464650115, -0.5466148643, 0.1095928654, 0.4090061419 ] - [ 0.0722264679, 0.1431555379, -0.1531969695, -0.6098155586, 0.0682340351, 0.2725612202, -0.0433225680, -0.1145946082, -0.1047070577, -0.4007950739, -0.1421382455, -0.5414680885 ] - [ -0.2907612977, -0.6242833552, -0.0304426873, -0.1414173502, 0.0155650178, 0.0675297432, 0.1992484931, 0.6669540454, -0.0183783722, -0.0884430141, -0.0144303754, -0.0842862524 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00424139830589, 0.00000000000000 ] - [ -0.15697121666060, 0.03271403108665 ] - [ 0.67826597716031, -0.11927742484366 ] - # atom 2 - [ -0.00109775465943, -0.00409687616324 ] - [ 0.07222646791314, 0.14315553786927 ] - [ -0.29076129768325, -0.62428335523231 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.28936145019655, -0.00000000000000 ] - [ 0.62868689069668, 0.00985497124549 ] - [ 0.14447781810058, 0.00719612568943 ] - # atom 2 - [ -0.07489225422906, -0.27950169787738 ] - [ -0.15319696947460, -0.60981555862073 ] - [ -0.03044268726650, -0.14141735020865 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.64517591529796, 0.00000000000000 ] - [ -0.28093418967046, -0.00463501804138 ] - [ -0.06925724608404, -0.00244333097416 ] - # atom 2 - [ -0.16698381431991, -0.62319207908616 ] - [ 0.06823403507539, 0.27256122023386 ] - [ 0.01556501780772, 0.06752974323985 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.02153068211173, 0.00000000000000 ] - [ -0.12190259725383, 0.01218712023583 ] - [ 0.69579744207438, -0.01983885615867 ] - # atom 2 - [ -0.00557255058454, -0.02079704190935 ] - [ -0.04332256800051, -0.11459460815725 ] - [ 0.19924849306946, 0.66695404535881 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.56589734891174, 0.00000000000000 ] - [ -0.41423849361109, -0.00259414706370 ] - [ -0.09018606421033, -0.00513859209747 ] - # atom 2 - [ -0.14646501147081, -0.54661486434252 ] - [ -0.10470705771469, -0.40079507388802 ] - [ -0.01837837220267, -0.08844301409198 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.42343431630239, 0.00000000000000 ] - [ -0.55980609576409, -0.00284725136335 ] - [ -0.08514912400298, -0.00787621508723 ] - # atom 2 - [ 0.10959286540859, 0.40900614185364 ] - [ -0.14213824552187, -0.54146808849176 ] - [ -0.01443037539952, -0.08428625242828 ] - q-position: [ 0.3333333, 0.8333333, 0.1666667 ] dynamical_matrix: - [ -0.0962117886, 0.0000000000, -0.6750088039, 0.0000000000, 0.1873670365, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0841091193, 0.0565065504, -0.1758675003, -0.0146813862, -0.6767700561, -0.0238754305, -0.1239581084, 0.0404909629, 0.0000000000, 0.0000000000, -0.6937977740, -0.0404909629 ] - [ -0.6735233869, -0.1638359081, 0.1067998519, 0.0425674231, 0.0389073272, 0.0692247677, -0.6925931541, -0.0575290553, -0.0000000000, 0.0000000000, 0.1170279390, 0.0575290553 ] - [ -0.0000000000, 0.0962117886, -0.0000000000, 0.6750088039, 0.0000000000, -0.1873670365, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.0565065504, 0.0841091193, -0.0146813862, 0.1758675003, -0.0238754305, 0.6767700561, -0.0404909629, -0.1239581084, 0.0000000000, -0.0000000000, 0.0404909629, -0.6937977740 ] - [ -0.1638359081, 0.6735233869, 0.0425674231, -0.1067998519, 0.0692247677, -0.0389073272, 0.0575290553, -0.6925931541, 0.0000000000, -0.0000000000, -0.0575290553, 0.1170279390 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.09621178860004, 0.00000000000000 ] - [ -0.08410911931219, 0.05650655043624 ] - [ -0.67352338694660, -0.16383590808090 ] - # atom 2 - [ -0.00000000000015, 0.09621178860004 ] - [ 0.05650655043611, 0.08410911931227 ] - [ -0.16383590808195, 0.67352338694634 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.67500880391406, 0.00000000000000 ] - [ -0.17586750028238, -0.01468138619392 ] - [ 0.10679985194286, 0.04256742307612 ] - # atom 2 - [ -0.00000000000106, 0.67500880391406 ] - [ -0.01468138619420, 0.17586750028236 ] - [ 0.04256742307629, -0.10679985194280 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.18736703651627, 0.00000000000000 ] - [ -0.67677005612754, -0.02387543045269 ] - [ 0.03890732719908, 0.06922476772917 ] - # atom 2 - [ 0.00000000000029, -0.18736703651627 ] - [ -0.02387543045376, 0.67677005612750 ] - [ 0.06922476772924, -0.03890732719897 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12395810838118, 0.04049096290576 ] - [ -0.69259315408360, -0.05752905532036 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.04049096290556, -0.12395810838125 ] - [ 0.05752905532145, -0.69259315408351 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69379777400373, -0.04049096290527 ] - [ 0.11702793899075, 0.05752905532036 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.04049096290636, -0.69379777400366 ] - [ -0.05752905532055, 0.11702793899066 ] - q-position: [ 0.3333333, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0305782328, -0.0003474391, 0.0000000000, 0.0000000000, -0.7062983519, 0.0144044795, -0.0565185600, -0.0324802445, 0.0000000000, 0.0000000000, -0.7037278972, -0.0227537411 ] - [ -0.7064444602, 0.0010371168, -0.0000000000, 0.0000000000, 0.0305633331, -0.0010157301, 0.7035267078, 0.0282994266, 0.0000000000, 0.0000000000, -0.0587235589, 0.0282994266 ] - [ 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.1830127019, -0.6830127019, -0.0000000000, 0.0000000000 ] - [ -0.0082498294, 0.0294463810, 0.0000000000, -0.0000000000, -0.1688898063, 0.6859599728, 0.0460015867, -0.0461862309, -0.0000000000, 0.0000000000, 0.2041166085, -0.6738598491 ] - [ -0.1818395027, 0.6826413745, 0.0000000000, -0.0000000000, 0.0069292527, -0.0297848031, -0.2094212577, 0.6722301859, -0.0000000000, 0.0000000000, -0.0121363716, -0.0640470327 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03057823281661, -0.00034743906873 ] - [ -0.70644446020382, 0.00103711679461 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00824982938808, 0.02944638095184 ] - [ -0.18183950271148, 0.68264137452805 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189258, 0.68301270189212 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70629835192687, 0.01440447948718 ] - [ 0.03056333307119, -0.00101573011814 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.16888980625264, 0.68595997281755 ] - [ 0.00692925272700, -0.02978480305019 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05651856003370, -0.03248024450278 ] - [ 0.70352670776732, 0.02829942661666 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.04600158674793, -0.04618623093429 ] - [ -0.20942125774701, 0.67223018594260 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189258, -0.68301270189212 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70372789724080, -0.02275374109461 ] - [ -0.05872355885343, 0.02829942661666 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.20411660854420, -0.67385984908226 ] - [ -0.01213637161070, -0.06404703268201 ] - q-position: [ 0.3333333, 0.8333333, 0.5000000 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, 0.2259240252, 0.0000000000, -0.1750502131, 0.0000000000, 0.9494146122, 0.0000000000, 0.0000000000, 0.0000000000, -0.1301063100, 0.0000000000 ] - [ 0.0067486118, 0.1515435306, -0.5476429301, -0.0342781126, -0.4236346264, -0.0364347559, 0.1439930096, 0.0061342293, -0.1567378211, 0.0030971366, 0.6697653925, 0.0342611326 ] - [ -0.3305944320, 0.8107536751, 0.0813308112, -0.0127062644, -0.0499276358, -0.0482432703, -0.0394995765, -0.0108842938, 0.2561326174, 0.3831384707, -0.0798350795, -0.0365805719 ] - [ 0.0464366907, -0.0252854648, 0.6159070929, 0.4614943072, -0.3608427205, -0.2682394034, -0.1699860781, -0.1263296859, -0.0027545256, -0.0334332883, 0.3145622854, 0.2404092970 ] - [ 0.0154562622, 0.0899006407, -0.0961394037, -0.1016257528, -0.4841506291, -0.4634101068, -0.1274777990, -0.1164308463, -0.2576171972, -0.2568608696, -0.4457801887, -0.4026000583 ] - [ -0.0717029437, 0.4405868361, 0.1296288070, 0.1113627772, 0.2664411188, 0.2478749238, 0.0255357431, 0.0291261482, -0.5762111409, -0.5454684959, 0.0529543484, 0.0724158524 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00674861183713, 0.15154353061564 ] - [ -0.33059443195159, 0.81075367505672 ] - # atom 2 - [ 0.04643669068547, -0.02528546475207 ] - [ 0.01545626216415, 0.08990064071488 ] - [ -0.07170294371648, 0.44058683612117 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.22592402522466, 0.00000000000000 ] - [ -0.54764293011039, -0.03427811256652 ] - [ 0.08133081116856, -0.01270626439026 ] - # atom 2 - [ 0.61590709287353, 0.46149430719099 ] - [ -0.09613940366063, -0.10162575278524 ] - [ 0.12962880695013, 0.11136277720519 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.17505021305861, 0.00000000000000 ] - [ -0.42363462636311, -0.03643475588132 ] - [ -0.04992763578270, -0.04824327031779 ] - # atom 2 - [ -0.36084272047087, -0.26823940344551 ] - [ -0.48415062910868, -0.46341010680361 ] - [ 0.26644111878917, 0.24787492382063 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.94941461218386, 0.00000000000000 ] - [ 0.14399300957970, 0.00613422929624 ] - [ -0.03949957651822, -0.01088429380628 ] - # atom 2 - [ -0.16998607814790, -0.12632968585213 ] - [ -0.12747779904727, -0.11643084631261 ] - [ 0.02553574309758, 0.02912614818263 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15673782105588, 0.00309713663439 ] - [ 0.25613261742788, 0.38313847069568 ] - # atom 2 - [ -0.00275452557174, -0.03343328825332 ] - [ -0.25761719720925, -0.25686086961613 ] - [ -0.57621114092876, -0.54546849589593 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.13010631001682, 0.00000000000000 ] - [ 0.66976539249730, 0.03426113260295 ] - [ -0.07983507951972, -0.03658057192775 ] - # atom 2 - [ 0.31456228540140, 0.24040929696686 ] - [ -0.44578018865337, -0.40260005834919 ] - [ 0.05295434839825, 0.07241585238799 ] - q-position: [ 0.3333333, 0.8333333, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.0863709037, -0.1169199195, 0.0000000000, 0.0000000000, 0.6813793201, 0.1207974399, -0.3909655191, -0.2529292940, 0.5249309857, 0.0872937306, 0.0000000000, 0.0000000000 ] - [ 0.6869153165, 0.0837684154, -0.0000000000, 0.0000000000, 0.1167899974, -0.0865465026, 0.5092079228, 0.1545316358, 0.4625827347, -0.0533336521, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.5000000000, 0.5000000000 ] - [ 0.1437483197, 0.0216014162, -0.0000000000, 0.0000000000, -0.5672246267, 0.3963912490, -0.4553023887, 0.0976063509, 0.4329082485, -0.3094562708, 0.0000000000, -0.0000000000 ] - [ -0.5449556929, 0.4264892638, -0.0000000000, 0.0000000000, -0.0213853802, 0.1437806180, 0.4693347428, -0.2507940077, 0.2893828015, -0.3648079756, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08637090374348, -0.11691991952222 ] - [ 0.68691531646386, 0.08376841536527 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14374831968414, 0.02160141621595 ] - [ -0.54495569292720, 0.42648926381761 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000079, -0.49999999999921 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68137932014964, 0.12079743986472 ] - [ 0.11678999736280, -0.08654650258992 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.56722462671703, 0.39639124895888 ] - [ -0.02138538024091, 0.14378061797927 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.39096551911070, -0.25292929395135 ] - [ 0.50920792282541, 0.15453163578892 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45530238868717, 0.09760635085886 ] - [ 0.46933474283835, -0.25079400768884 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.52493098568484, 0.08729373056360 ] - [ 0.46258273467807, -0.05333365213436 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.43290824846977, -0.30945627079542 ] - [ 0.28938280146160, -0.36480797563988 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000079, 0.49999999999921 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.3333333, 0.8333333, 0.8333333 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1257352517, 0.0059461863, -0.5273983924, 0.4538790864, 0.0000000000, 0.0000000000, -0.4655797671, 0.0681728105, 0.0000000000, 0.0000000000, -0.5263503895, -0.0392837865 ] - [ 0.6699879861, -0.1878067831, 0.0646767569, -0.1079890169, -0.0000000000, 0.0000000000, 0.5164035933, -0.1091571214, 0.0000000000, 0.0000000000, -0.4705128959, -0.0054466860 ] - [ -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906, 0.0000000000, -0.0000000000, -0.6123724357, 0.3535533906, 0.0000000000, 0.0000000000 ] - [ -0.1118630153, 0.0577180774, 0.2298008625, -0.6567700153, -0.0000000000, 0.0000000000, -0.3691175006, 0.2918292693, 0.0000000000, -0.0000000000, -0.4754747018, 0.2291544377 ] - [ -0.4863232247, 0.4976394382, -0.0020172061, 0.1258596104, -0.0000000000, 0.0000000000, 0.3926400697, -0.3527346368, 0.0000000000, -0.0000000000, -0.4101994637, 0.2305394796 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12573525168994, 0.00594618630490 ] - [ 0.66998798614890, -0.18780678306982 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.11186301526720, 0.05771807744924 ] - [ -0.48632322470068, 0.49763943821569 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.52739839236531, 0.45387908641111 ] - [ 0.06467675694423, -0.10798901685024 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.22980086249822, -0.65677001526103 ] - [ -0.00201720612304, 0.12585961039413 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.46557976710142, 0.06817281047113 ] - [ 0.51640359334657, -0.10915712142139 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.36911750056246, 0.29182926926590 ] - [ 0.39264006973319, -0.35273463682799 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.52635038947176, -0.03928378649238 ] - [ -0.47051289592728, -0.00544668595265 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.47547470182069, 0.22915443767639 ] - [ -0.41019946365766, 0.23053947956199 ] - q-position: [ 0.5000000, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.0073310265, 0.0000000000, 0.4332200804, -0.0000000000, 0.5588082122, 0.0000000000, 0.0302675247, 0.0000000000, 0.6829690117, 0.0000000000, -0.1806577039, 0.0000000000 ] - [ 0.0807432337, -0.0004332786, 0.5546695359, 0.0000187172, -0.4310708155, -0.0000088265, -0.1031625769, 0.0317255612, -0.1743850562, -0.0052203085, -0.6765394595, -0.0144198376 ] - [ -0.7024143773, 0.0063750325, 0.0682787791, -0.0002753954, -0.0437186127, 0.0001298680, 0.6908850143, 0.1005621472, -0.0533115717, -0.0165470811, -0.0857908180, -0.0457073027 ] - [ 0.0051838185, -0.0051838185, 0.3063328566, -0.3063328566, 0.3951370762, -0.3951370762, -0.0214023720, 0.0214023720, -0.4829320195, 0.4829320195, 0.1277442875, -0.1277442875 ] - [ 0.0567877139, -0.0574004623, 0.3922238252, -0.3921973551, -0.3048193381, 0.3048068556, 0.0505135982, -0.0953803171, 0.1270001713, -0.1196175402, 0.4885820045, -0.4681892747 ] - [ -0.4921741407, 0.5011897981, 0.0480856537, -0.0484751217, -0.0308218969, 0.0310055580, -0.5596376549, 0.4174213024, 0.0493975271, -0.0259964206, 0.0929832129, -0.0283433255 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00733102646435, 0.00000000000000 ] - [ 0.08074323374621, -0.00043327857835 ] - [ -0.70241437733420, 0.00637503247568 ] - # atom 2 - [ 0.00518381852600, -0.00518381852600 ] - [ 0.05678771389598, -0.05740046233777 ] - [ -0.49217414072210, 0.50118979810977 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.43322008040846, -0.00000000000000 ] - [ 0.55466953590758, 0.00001871722931 ] - [ 0.06827877908966, -0.00027539543999 ] - # atom 2 - [ 0.30633285660301, -0.30633285660301 ] - [ 0.39222382523761, -0.39219735507807 ] - [ 0.04808565372231, -0.04847512168856 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.55880821216394, 0.00000000000000 ] - [ -0.43107081550682, -0.00000882646811 ] - [ -0.04371861265895, 0.00012986799637 ] - # atom 2 - [ 0.39513707620386, -0.39513707620386 ] - [ -0.30481933807194, 0.30480685556103 ] - [ -0.03082189693432, 0.03100555801610 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.03026752472562, 0.00000000000000 ] - [ -0.10316257689017, 0.03172556116169 ] - [ 0.69088501430110, 0.10056214724987 ] - # atom 2 - [ -0.02140237198322, 0.02140237198322 ] - [ 0.05051359824934, -0.09538031711810 ] - [ -0.55963765488354, 0.41742130238141 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.68296901172083, 0.00000000000000 ] - [ -0.17438505622487, -0.00522030851853 ] - [ -0.05331157172792, -0.01654708111403 ] - # atom 2 - [ -0.48293201952807, 0.48293201952807 ] - [ 0.12700017134755, -0.11961754024086 ] - [ 0.04939752714910, -0.02599642061995 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.18065770389347, 0.00000000000000 ] - [ -0.67653945954964, -0.01441983755324 ] - [ -0.08579081804626, -0.04570730270010 ] - # atom 2 - [ 0.12774428749666, -0.12774428749666 ] - [ 0.48858200450533, -0.46818927467033 ] - [ 0.09298321289304, -0.02834332551506 ] - q-position: [ 0.5000000, 0.0000000, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1374262019, 0.1324128267, 0.0000000000, 0.0000000000, -0.5553683079, 0.3938869444, 0.1088431890, 0.0655229924, 0.6887034776, 0.0977108879, 0.0000000000, 0.0000000000 ] - [ -0.6786750961, -0.0545985006, -0.0000000000, 0.0000000000, 0.1858038022, 0.0435438253, -0.6932557770, -0.0570642208, 0.1206414348, -0.0398214332, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906 ] - [ -0.0528081686, 0.1833859727, 0.0000000000, -0.0000000000, -0.2840195909, 0.6188002540, -0.1270224629, -0.0023229815, -0.6452901512, 0.2597316276, -0.0000000000, 0.0000000000 ] - [ -0.6150491244, 0.2920538596, 0.0000000000, -0.0000000000, 0.1826827255, -0.0551918423, 0.6289092246, -0.2972088236, -0.0845678307, 0.0948070902, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13742620185547, 0.13241282673186 ] - [ -0.67867509612309, -0.05459850055429 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05280816858662, 0.18338597266440 ] - [ -0.61504912443574, 0.29205385957266 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55536830788022, 0.39388694439232 ] - [ 0.18580380222491, 0.04354382526042 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28401959088522, 0.61880025400274 ] - [ 0.18268272547675, -0.05519184225889 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10884318903169, 0.06552299242642 ] - [ -0.69325577701720, -0.05706422081463 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12702246294357, -0.00232298145748 ] - [ 0.62890922462469, -0.29720882363563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68870347758990, 0.09771088793207 ] - [ 0.12064143480497, -0.03982143321503 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.64529015123371, 0.25973162761911 ] - [ -0.08456783068264, 0.09480709018176 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.2739906548, 0.0399876686, 0.0000000000, 0.0000000000, 0.6478132719, -0.0605646114, 0.1827651224, -0.0137818191, 0.6814552026, 0.0450086480, 0.0000000000, 0.0000000000 ] - [ 0.6494867697, -0.0386916454, -0.0000000000, 0.0000000000, -0.2647182794, 0.0812042188, 0.6827957378, 0.0140339571, -0.1808910766, -0.0295202794, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.6830127019, -0.1830127019 ] - [ 0.2750042199, -0.0322888779, 0.0000000000, -0.0000000000, 0.6100642951, -0.2261673348, -0.1729705546, 0.0606153094, -0.6698842749, 0.1328985693, -0.0000000000, 0.0000000000 ] - [ 0.6173419100, -0.2054728051, 0.0000000000, -0.0000000000, -0.2346810243, 0.1469513844, -0.6631622926, 0.1631647792, 0.1823677732, -0.0183036554, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.27399065483554, 0.03998766855870 ] - [ 0.64948676968907, -0.03869164541465 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.27500421985972, -0.03228887785776 ] - [ 0.61734190995596, -0.20547280510560 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64781327191348, -0.06056461143916 ] - [ -0.26471827935231, 0.08120421879879 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.61006429505425, -0.22616733478995 ] - [ -0.23468102434932, 0.14695138442465 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.18276512237719, -0.01378181906867 ] - [ 0.68279573779619, 0.01403395713860 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.17297055459785, 0.06061530942348 ] - [ -0.66316229260297, 0.16316477921162 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68145520257314, 0.04500864796466 ] - [ -0.18089107660875, -0.02952027943159 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66988427491195, 0.13289856933506 ] - [ 0.18236777317526, -0.01830365541329 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0745988822, 0.0000000000, 0.1030344108, 0.0000000000, 0.4618685827, 0.0000000000, 0.0000000000, 0.0000000000, -0.2076847890, 0.0000000000, -0.8528560006, 0.0000000000 ] - [ -0.4709626250, 0.0000000000, -0.7487737428, 0.0000000000, 0.3279593598, 0.0000000000, 0.0000000000, 0.0000000000, 0.3298387101, 0.0000000000, -0.0343681759, 0.0000000000 ] - [ 0.0703214662, 0.0000000000, 0.1472735055, 0.0000000000, 0.7855634035, 0.0000000000, 0.0000000000, 0.0000000000, -0.2921148334, 0.0000000000, 0.5205040530, 0.0000000000 ] - [ 0.5807674915, 0.0000000000, 0.0771271010, 0.0000000000, 0.2270441102, 0.0000000000, 0.0000000000, 0.0000000000, 0.7779273742, 0.0000000000, -0.0063642515, 0.0000000000 ] - [ -0.6560436150, 0.0000000000, 0.6333117062, 0.0000000000, 0.1022799187, 0.0000000000, 0.0000000000, 0.0000000000, 0.3969526148, 0.0000000000, -0.0221471863, 0.0000000000 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07459888217525, 0.00000000000000 ] - [ -0.47096262503207, 0.00000000000000 ] - # atom 2 - [ 0.07032146622914, 0.00000000000000 ] - [ 0.58076749149220, 0.00000000000000 ] - [ -0.65604361502445, 0.00000000000000 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10303441082634, 0.00000000000000 ] - [ -0.74877374278907, 0.00000000000000 ] - # atom 2 - [ 0.14727350547113, 0.00000000000000 ] - [ 0.07712710100913, 0.00000000000000 ] - [ 0.63331170616963, 0.00000000000000 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.46186858265637, 0.00000000000000 ] - [ 0.32795935984174, 0.00000000000000 ] - # atom 2 - [ 0.78556340349723, 0.00000000000000 ] - [ 0.22704411015854, 0.00000000000000 ] - [ 0.10227991872973, 0.00000000000000 ] - # 4 frequency: 911.3759468011 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 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.20768478898404, 0.00000000000000 ] - [ 0.32983871014792, 0.00000000000000 ] - # atom 2 - [ -0.29211483337181, 0.00000000000000 ] - [ 0.77792737415556, 0.00000000000000 ] - [ 0.39695261477438, 0.00000000000000 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.85285600059068, 0.00000000000000 ] - [ -0.03436817587114, 0.00000000000000 ] - # atom 2 - [ 0.52050405299444, 0.00000000000000 ] - [ -0.00636425153013, 0.00000000000000 ] - [ -0.02214718633568, 0.00000000000000 ] - q-position: [ 0.5000000, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.3187170766, 0.0165491037, 0.0000000000, 0.0000000000, 0.6308124537, -0.0148728109, -0.2196523932, 0.0101264678, -0.6718974045, 0.0142884081, 0.0000000000, 0.0000000000 ] - [ 0.6308802747, -0.0116460821, -0.0000000000, 0.0000000000, 0.3191309645, 0.0031424924, 0.6720243261, -0.0057953338, -0.2198569014, -0.0035583835, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019 ] - [ 0.3121402788, 0.0665048428, -0.0000000000, -0.0000000000, -0.6131674073, -0.1489002448, -0.2147888421, -0.0470688059, -0.6527011678, -0.1600983023, 0.0000000000, 0.0000000000 ] - [ -0.6123977785, -0.1520345788, -0.0000000000, -0.0000000000, -0.3074435036, -0.0856325861, 0.6506255953, 0.1683348318, -0.2114444817, -0.0603402878, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.31871707657378, 0.01654910369701 ] - [ 0.63088027472560, -0.01164608214112 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.31214027875810, 0.06650484275398 ] - [ -0.61239777851267, -0.15203457876363 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.63081245371636, -0.01487281087855 ] - [ 0.31913096445552, 0.00314249241872 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.61316740729891, -0.14890024477286 ] - [ -0.30744350364903, -0.08563258606934 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21965239316306, 0.01012646777322 ] - [ 0.67202432614762, -0.00579533381421 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21478884208170, -0.04706880590183 ] - [ 0.65062559528425, 0.16833483177642 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67189740453598, 0.01428840809841 ] - [ -0.21985690136765, -0.00355838345847 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.65270116779788, -0.16009830225040 ] - [ -0.21144448171004, -0.06034028775366 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3787500114, -0.2541560135, -0.4017558431, -0.3613106588, 0.0000000000, 0.0000000000, 0.1282234124, -0.0601938082, 0.0000000000, 0.0000000000, -0.6926763873, -0.0116139786 ] - [ -0.5373373841, -0.0567598919, 0.4423160074, 0.1113705526, -0.0000000000, 0.0000000000, 0.6909674325, 0.0499946915, 0.0000000000, 0.0000000000, 0.1223661671, 0.0713516586 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.6123724357, 0.3535533906, 0.0000000000, 0.0000000000, -0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000 ] - [ 0.2009291248, 0.4094805699, 0.1672754369, 0.5137821307, -0.0000000000, -0.0000000000, 0.1411416366, 0.0119823391, 0.0000000000, 0.0000000000, -0.5940683587, -0.3563961941 ] - [ 0.4369678791, 0.3178242003, -0.3273716226, -0.3176077315, -0.0000000000, -0.0000000000, 0.5733980040, 0.3887803892, 0.0000000000, 0.0000000000, 0.0702963800, 0.1229754325 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.37875001142841, -0.25415601351587 ] - [ -0.53733738406173, -0.05675989188139 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20092912482293, 0.40948056994343 ] - [ 0.43696787906001, 0.31782420031598 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.40175584313831, -0.36131065877015 ] - [ 0.44231600737135, 0.11137055259976 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16727543689181, 0.51378213072211 ] - [ -0.32737162258438, -0.31760773147041 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, 0.35355339059295 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12822341240997, -0.06019380824268 ] - [ 0.69096743250084, 0.04999469154202 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14114163662831, 0.01198233911622 ] - [ 0.57339800396263, 0.38878038917988 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, -0.35355339059295 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69267638725527, -0.01161397856769 ] - [ 0.12236616710047, 0.07135165863492 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.59406835868104, -0.35639619410595 ] - [ 0.07029637995534, 0.12297543253019 ] - q-position: [ 0.5000000, 0.1666667, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1374262019, 0.1324128267, 0.0000000000, 0.0000000000, -0.5553683079, 0.3938869444, 0.1088431890, 0.0655229924, 0.6887034776, 0.0977108879, 0.0000000000, 0.0000000000 ] - [ -0.6786750961, -0.0545985006, -0.0000000000, 0.0000000000, 0.1858038022, 0.0435438253, -0.6932557770, -0.0570642208, 0.1206414348, -0.0398214332, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.6123724357, -0.3535533906 ] - [ -0.0528081686, 0.1833859727, 0.0000000000, -0.0000000000, -0.2840195909, 0.6188002540, -0.1270224629, -0.0023229815, -0.6452901512, 0.2597316276, -0.0000000000, 0.0000000000 ] - [ -0.6150491244, 0.2920538596, 0.0000000000, -0.0000000000, 0.1826827255, -0.0551918423, 0.6289092246, -0.2972088236, -0.0845678307, 0.0948070902, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13742620185547, 0.13241282673186 ] - [ -0.67867509612309, -0.05459850055429 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.05280816858662, 0.18338597266440 ] - [ -0.61504912443574, 0.29205385957266 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55536830788022, 0.39388694439232 ] - [ 0.18580380222491, 0.04354382526042 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28401959088522, 0.61880025400274 ] - [ 0.18268272547675, -0.05519184225889 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10884318903169, 0.06552299242642 ] - [ -0.69325577701720, -0.05706422081463 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12702246294357, -0.00232298145748 ] - [ 0.62890922462469, -0.29720882363563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68870347758990, 0.09771088793207 ] - [ 0.12064143480497, -0.03982143321503 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.64529015123371, 0.25973162761911 ] - [ -0.08456783068264, 0.09480709018176 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.4845920159, 0.0000000000, -0.5057778834, 0.0000000000, 0.0967435311, 0.0000000000, -0.2935284373, 0.0000000000, 0.5857662131, -0.0000000000, -0.2659304422, 0.0000000000 ] - [ -0.5039637970, -0.0060691925, -0.4923079501, 0.0007362864, -0.0494259469, 0.0342501410, -0.3519210736, 0.0083776343, 0.0983967097, 0.0083652758, 0.6051819773, 0.0091791749 ] - [ 0.0984316803, -0.0382810482, -0.0149899393, 0.0399546565, -0.5714158407, 0.4006352828, 0.5330476616, -0.0760435409, 0.3806508053, -0.0472336498, 0.2500944723, -0.0201065151 ] - [ 0.4680799434, -0.1254216428, -0.4885439199, 0.1309049488, 0.0934470752, -0.0250390683, 0.2835266984, -0.0759707499, -0.5658067134, 0.1516074519, 0.2568690821, -0.0688278631 ] - [ -0.4883624696, 0.1245730389, -0.4753423986, 0.1281298715, -0.0388772098, 0.0458754722, 0.3377613625, -0.0991760495, -0.0972090158, 0.0173867065, -0.5869366468, 0.1477662194 ] - [ 0.0851698378, -0.0624526466, -0.0041381434, 0.0424729164, -0.4482532767, 0.5348772689, -0.4952029864, 0.2114153069, -0.3554554755, 0.1441438802, -0.2363687608, 0.0841506148 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.48459201592477, 0.00000000000000 ] - [ -0.50396379698288, -0.00606919250499 ] - [ 0.09843168027210, -0.03828104823164 ] - # atom 2 - [ 0.46807994339535, -0.12542164282547 ] - [ -0.48836246962928, 0.12457303891555 ] - [ 0.08516983775108, -0.06245264664013 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.50577788335975, 0.00000000000000 ] - [ -0.49230795009744, 0.00073628635239 ] - [ -0.01498993929170, 0.03995465651748 ] - # atom 2 - [ -0.48854391990314, 0.13090494880463 ] - [ -0.47534239855603, 0.12812987154342 ] - [ -0.00413814344915, 0.04247291638437 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.09674353108139, 0.00000000000000 ] - [ -0.04942594688217, 0.03425014103630 ] - [ -0.57141584065256, 0.40063528284341 ] - # atom 2 - [ 0.09344707519794, -0.02503906833423 ] - [ -0.03887720978469, 0.04587547215630 ] - [ -0.44825327669764, 0.53487726885476 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.29352843733624, 0.00000000000000 ] - [ -0.35192107358090, 0.00837763426881 ] - [ 0.53304766163197, -0.07604354093123 ] - # atom 2 - [ 0.28352669837342, -0.07597074986150 ] - [ 0.33776136248560, -0.09917604951875 ] - [ -0.49520298636350, 0.21141530688515 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.58576621309834, -0.00000000000000 ] - [ 0.09839670968893, 0.00836527581752 ] - [ 0.38065080532862, -0.04723364984831 ] - # atom 2 - [ -0.56580671339939, 0.15160745192684 ] - [ -0.09720901580954, 0.01738670648664 ] - [ -0.35545547551435, 0.14414388021066 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.26593044215994, 0.00000000000000 ] - [ 0.60518197729662, 0.00917917490689 ] - [ 0.25009447231924, -0.02010651514723 ] - # atom 2 - [ 0.25686908207883, -0.06882786310326 ] - [ -0.58693664675987, 0.14776621936996 ] - [ -0.23636876077464, 0.08415061476822 ] - q-position: [ 0.5000000, 0.1666667, 0.3333333 ] dynamical_matrix: - [ -0.0091727865, 0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, 0.0000000000, 0.1750441813, 0.0000000000, -0.6768281195, 0.0000000000, 0.1061283719, 0.0000000000 ] - [ 0.1557365117, -0.0000000000, 0.2030119447, -0.0000000000, 0.6591906319, -0.0000000000, -0.2359104349, 0.0000000000, 0.0432906658, -0.0000000000, 0.6651858274, -0.0000000000 ] - [ -0.6896825349, -0.0000000000, 0.0368466621, -0.0000000000, 0.1515926271, -0.0000000000, -0.6431996590, -0.0000000000, -0.2000740237, -0.0000000000, -0.2150920355, -0.0000000000 ] - [ -0.0091727865, -0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, -0.0000000000, -0.1750441813, -0.0000000000, 0.6768281195, 0.0000000000, -0.1061283719, -0.0000000000 ] - [ 0.1557365117, 0.0000000000, 0.2030119447, -0.0000000000, 0.6591906319, -0.0000000000, 0.2359104349, 0.0000000000, -0.0432906658, -0.0000000000, -0.6651858274, -0.0000000000 ] - [ -0.6896825349, -0.0000000000, 0.0368466621, 0.0000000000, 0.1515926271, 0.0000000000, 0.6431996590, 0.0000000000, 0.2000740237, 0.0000000000, 0.2150920355, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.00917278651260, 0.00000000000000 ] - [ 0.15573651170999, -0.00000000000000 ] - [ -0.68968253487238, -0.00000000000000 ] - # atom 2 - [ -0.00917278651260, -0.00000000000000 ] - [ 0.15573651170999, 0.00000000000000 ] - [ -0.68968253487238, -0.00000000000000 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, -0.00000000000000 ] - [ 0.03684666210075, -0.00000000000000 ] - # atom 2 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, -0.00000000000000 ] - [ 0.03684666210075, 0.00000000000000 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.20612468599030, 0.00000000000000 ] - [ 0.65919063194297, -0.00000000000000 ] - [ 0.15159262707676, -0.00000000000000 ] - # atom 2 - [ -0.20612468599030, -0.00000000000000 ] - [ 0.65919063194297, -0.00000000000000 ] - [ 0.15159262707676, 0.00000000000000 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.17504418127870, 0.00000000000000 ] - [ -0.23591043494174, 0.00000000000000 ] - [ -0.64319965895985, -0.00000000000000 ] - # atom 2 - [ -0.17504418127870, -0.00000000000000 ] - [ 0.23591043494174, 0.00000000000000 ] - [ 0.64319965895985, 0.00000000000000 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ -0.67682811945392, 0.00000000000000 ] - [ 0.04329066578701, -0.00000000000000 ] - [ -0.20007402373168, -0.00000000000000 ] - # atom 2 - [ 0.67682811945392, 0.00000000000000 ] - [ -0.04329066578701, -0.00000000000000 ] - [ 0.20007402373168, 0.00000000000000 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.10612837187547, 0.00000000000000 ] - [ 0.66518582737557, -0.00000000000000 ] - [ -0.21509203551444, -0.00000000000000 ] - # atom 2 - [ -0.10612837187547, -0.00000000000000 ] - [ -0.66518582737557, -0.00000000000000 ] - [ 0.21509203551444, 0.00000000000000 ] - q-position: [ 0.5000000, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.3459939779, -0.0180790041, 0.0000000000, 0.0000000000, 0.6160195267, 0.0219376283, 0.1182411365, 0.0042758169, 0.6968314256, -0.0206570889, 0.0000000000, 0.0000000000 ] - [ 0.6162777487, 0.0127692338, -0.0000000000, 0.0000000000, -0.3444279467, -0.0375242946, 0.6971185974, -0.0051392851, -0.1180019741, 0.0086477209, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019 ] - [ 0.3388837096, 0.0720868540, 0.0000000000, 0.0000000000, 0.5893512944, 0.1806277074, -0.1131055046, -0.0347331800, -0.6784339186, -0.1604000285, -0.0000000000, -0.0000000000 ] - [ 0.5919736727, 0.1718385511, 0.0000000000, 0.0000000000, -0.3229798469, -0.1253901975, -0.6746950020, -0.1754634015, 0.1162193492, 0.0221881013, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.34599397792702, -0.01807900410279 ] - [ 0.61627774867971, 0.01276923377319 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33888370959845, 0.07208685400200 ] - [ 0.59197367272506, 0.17183855111497 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.61601952673152, 0.02193762827565 ] - [ -0.34442794669748, -0.03752429459525 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.58935129436613, 0.18062770739245 ] - [ -0.32297984691546, -0.12539019753386 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11824113648234, 0.00427581694063 ] - [ 0.69711859735711, -0.00513928513599 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.11310550460044, -0.03473318004770 ] - [ -0.67469500204496, -0.17546340145001 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69683142560566, -0.02065708888596 ] - [ -0.11800197409443, 0.00864772091148 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67843391858231, -0.16040002852214 ] - [ 0.11621934919952, 0.02218810128846 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -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, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2056607452, -0.0041723037, 0.0129560994, 0.0130482282, 0.7931159354, -0.0993346323, 0.0000000000, 0.0000000000, -0.1392970205, -0.0295093564, 0.5451528032, 0.0313342638 ] - [ -0.8694983607, -0.0188319286, -0.3407210874, -0.0231227690, -0.0027223070, 0.0144410257, 0.0000000000, 0.0000000000, -0.2074147731, -0.0064714676, 0.2890912684, 0.0118302029 ] - [ 0.1061541212, 0.0287661969, -0.0649082037, -0.0213620791, 0.0831865378, 0.0300284574, 0.0000000000, 0.0000000000, -0.8693404937, -0.2475342728, -0.3825502911, -0.1097353703 ] - [ 0.2680937799, 0.0504796392, 0.0879848679, 0.0084022388, -0.5916518813, 0.0137464075, 0.0000000000, 0.0000000000, -0.3260999488, -0.0384651134, 0.6682165454, 0.1148502985 ] - [ 0.3264811883, 0.0905294559, -0.8873349070, -0.2884298463, -0.0458263468, -0.0268535836, 0.0000000000, 0.0000000000, 0.1047097125, 0.0291855163, -0.0042496942, -0.0020714009 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20566074520645, -0.00417230370374 ] - [ -0.86949836068542, -0.01883192859750 ] - # atom 2 - [ 0.10615412117025, 0.02876619689756 ] - [ 0.26809377989474, 0.05047963917647 ] - [ 0.32648118827261, 0.09052945588421 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.01295609941247, 0.01304822816332 ] - [ -0.34072108740861, -0.02312276895248 ] - # atom 2 - [ -0.06490820371385, -0.02136207905713 ] - [ 0.08798486794611, 0.00840223878271 ] - [ -0.88733490702365, -0.28842984627661 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.79311593535690, -0.09933463226739 ] - [ -0.00272230704073, 0.01444102568345 ] - # atom 2 - [ 0.08318653784220, 0.03002845740430 ] - [ -0.59165188131908, 0.01374640753007 ] - [ -0.04582634684948, -0.02685358357136 ] - # 4 frequency: 911.3759468011 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 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.13929702048443, -0.02950935642867 ] - [ -0.20741477314605, -0.00647146755533 ] - # atom 2 - [ -0.86934049365487, -0.24753427280514 ] - [ -0.32609994883494, -0.03846511338060 ] - [ 0.10470971251749, 0.02918551629644 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.54515280315434, 0.03133426380634 ] - [ 0.28909126844509, 0.01183020289676 ] - # atom 2 - [ -0.38255029107562, -0.10973537026894 ] - [ 0.66821654542663, 0.11485029846931 ] - [ -0.00424969416840, -0.00207140094975 ] - q-position: [ 0.5000000, 0.1666667, 0.8333333 ] dynamical_matrix: - [ -0.0455059890, 0.0000000000, 0.6146635997, -0.0000000000, 0.3465802421, 0.0000000000, 0.0157248129, 0.0000000000, -0.6021717409, 0.0000000000, -0.3703267809, 0.0000000000 ] - [ -0.1955572429, 0.0649419530, 0.3210953454, 0.0110236153, -0.5951425430, -0.0110236153, -0.0094109061, 0.0929830273, 0.3668671271, 0.0112141433, -0.5969457592, -0.0142865700 ] - [ 0.3267954060, -0.5904861345, 0.0944371294, -0.1002324642, -0.1245769738, 0.1002324642, 0.5679056432, 0.4104893448, -0.0148671233, 0.0495067376, 0.0482891663, -0.0630704864 ] - [ 0.0321775934, 0.0321775934, -0.4346327995, -0.4346327995, -0.2450692394, -0.2450692394, 0.0111191218, 0.0111191218, -0.4257997215, -0.4257997215, -0.2618605780, -0.2618605780 ] - [ 0.1842007479, 0.0923589572, -0.2192538230, -0.2348435693, 0.4130344548, 0.4286242010, -0.0724034447, 0.0590944136, 0.2514846366, 0.2673438302, -0.4120022638, -0.4322065249 ] - [ -0.6486159976, 0.1864575023, -0.1376521897, 0.0040979205, 0.1589642780, 0.0172141678, 0.1113101321, 0.6918297307, -0.0455191936, 0.0244939062, 0.0787431656, -0.0104519717 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.04550598899050, 0.00000000000000 ] - [ -0.19555724288475, 0.06494195302434 ] - [ 0.32679540599415, -0.59048613453647 ] - # atom 2 - [ 0.03217759339978, 0.03217759339978 ] - [ 0.18420074792096, 0.09235895718694 ] - [ -0.64861599756644, 0.18645750228829 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.61466359969213, -0.00000000000000 ] - [ 0.32109534541419, 0.01102361528646 ] - [ 0.09443712935550, -0.10023246416191 ] - # atom 2 - [ -0.43463279949083, -0.43463279949083 ] - [ -0.21925382302757, -0.23484356927206 ] - [ -0.13765218966699, 0.00409792054086 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.34658024205012, 0.00000000000000 ] - [ -0.59514254297443, -0.01102361528646 ] - [ -0.12457697378111, 0.10023246416191 ] - # atom 2 - [ -0.24506923937891, -0.24506923937891 ] - [ 0.41303445478758, 0.42862420103207 ] - [ 0.15896427804424, 0.01721416783640 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.01572481291582, 0.00000000000000 ] - [ -0.00941090611567, 0.09298302729896 ] - [ 0.56790564319640, 0.41048934476409 ] - # atom 2 - [ 0.01111912184567, 0.01111912184567 ] - [ -0.07240344466985, 0.05909441360685 ] - [ 0.11131013209077, 0.69182973066579 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.60217174094925, 0.00000000000000 ] - [ 0.36686712713303, 0.01121414329422 ] - [ -0.01486712327739, 0.04950673759131 ] - # atom 2 - [ -0.42579972146413, -0.42579972146413 ] - [ 0.25148463662165, 0.26734383015873 ] - [ -0.04551919355142, 0.02449390617906 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.37032678091235, 0.00000000000000 ] - [ -0.59694575919181, -0.01428657001008 ] - [ 0.04828916627607, -0.06307048643952 ] - # atom 2 - [ -0.26186057803811, -0.26186057803811 ] - [ -0.41200226379105, -0.43220652485910 ] - [ 0.07874316558577, -0.01045197172246 ] - q-position: [ 0.5000000, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0715508197, 0.0073134682, 0.0000000000, 0.0000000000, -0.7030641558, -0.0229735989, 0.2538855581, 0.0020063074, 0.0000000000, 0.0000000000, -0.6597807263, -0.0150828155 ] - [ -0.7033730190, -0.0096638264, -0.0000000000, 0.0000000000, 0.0711345537, 0.0106245889, 0.6599513152, 0.0015361331, 0.0000000000, 0.0000000000, 0.2538555725, 0.0043875085 ] - [ 0.0000000000, -0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000 ] - [ -0.0672199198, 0.0255829827, 0.0000000000, -0.0000000000, -0.6850538305, 0.1597756010, -0.2457538881, 0.0637724736, -0.0000000000, 0.0000000000, 0.6412029631, -0.1561949366 ] - [ -0.6819073469, 0.1727117936, 0.0000000000, -0.0000000000, 0.0714605485, -0.0081484125, -0.6378615999, 0.1693241786, -0.0000000000, 0.0000000000, -0.2463412243, 0.0614646491 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.07155081971641, 0.00731346820989 ] - [ -0.70337301898800, -0.00966382638324 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.06721991979774, 0.02558298265902 ] - [ -0.68190734687187, 0.17271179364136 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70306415577480, -0.02297359887614 ] - [ 0.07113455370161, 0.01062458888709 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68505383052461, 0.15977560096653 ] - [ 0.07146054851229, -0.00814841246314 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25388555814325, 0.00200630742193 ] - [ 0.65995131516801, 0.00153613307998 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.24575388810347, 0.06377247356976 ] - [ -0.63786159991104, 0.16932417859170 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.65978072628312, -0.01508281545786 ] - [ 0.25385557246684, 0.00438750848548 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64120296309881, -0.15619493657008 ] - [ -0.24634122434968, 0.06146464910076 ] - q-position: [ 0.5000000, 0.3333333, 0.1666667 ] dynamical_matrix: - [ 0.0091727865, 0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, 0.0000000000, 0.1750441813, 0.0000000000, -0.6768281195, 0.0000000000, 0.1061283719, 0.0000000000 ] - [ -0.1557365117, 0.0000000000, 0.2030119447, 0.0000000000, 0.6591906319, 0.0000000000, -0.2359104349, 0.0000000000, 0.0432906658, 0.0000000000, 0.6651858274, 0.0000000000 ] - [ 0.6896825349, 0.0000000000, 0.0368466621, 0.0000000000, 0.1515926271, 0.0000000000, -0.6431996590, 0.0000000000, -0.2000740237, 0.0000000000, -0.2150920355, 0.0000000000 ] - [ 0.0091727865, 0.0000000000, 0.6763345872, 0.0000000000, -0.2061246860, 0.0000000000, -0.1750441813, 0.0000000000, 0.6768281195, 0.0000000000, -0.1061283719, 0.0000000000 ] - [ -0.1557365117, 0.0000000000, 0.2030119447, 0.0000000000, 0.6591906319, 0.0000000000, 0.2359104349, 0.0000000000, -0.0432906658, 0.0000000000, -0.6651858274, 0.0000000000 ] - [ 0.6896825349, 0.0000000000, 0.0368466621, 0.0000000000, 0.1515926271, 0.0000000000, 0.6431996590, 0.0000000000, 0.2000740237, 0.0000000000, 0.2150920355, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.00917278651260, 0.00000000000000 ] - [ -0.15573651170999, 0.00000000000000 ] - [ 0.68968253487238, 0.00000000000000 ] - # atom 2 - [ 0.00917278651260, 0.00000000000000 ] - [ -0.15573651170999, 0.00000000000000 ] - [ 0.68968253487238, 0.00000000000000 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, 0.00000000000000 ] - [ 0.03684666210075, 0.00000000000000 ] - # atom 2 - [ 0.67633458717782, 0.00000000000000 ] - [ 0.20301194467084, 0.00000000000000 ] - [ 0.03684666210075, 0.00000000000000 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.20612468599030, 0.00000000000000 ] - [ 0.65919063194297, 0.00000000000000 ] - [ 0.15159262707676, 0.00000000000000 ] - # atom 2 - [ -0.20612468599030, 0.00000000000000 ] - [ 0.65919063194297, 0.00000000000000 ] - [ 0.15159262707676, 0.00000000000000 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.17504418127870, 0.00000000000000 ] - [ -0.23591043494174, 0.00000000000000 ] - [ -0.64319965895985, 0.00000000000000 ] - # atom 2 - [ -0.17504418127870, 0.00000000000000 ] - [ 0.23591043494174, 0.00000000000000 ] - [ 0.64319965895985, 0.00000000000000 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ -0.67682811945392, 0.00000000000000 ] - [ 0.04329066578701, 0.00000000000000 ] - [ -0.20007402373168, 0.00000000000000 ] - # atom 2 - [ 0.67682811945392, 0.00000000000000 ] - [ -0.04329066578701, 0.00000000000000 ] - [ 0.20007402373168, 0.00000000000000 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.10612837187547, 0.00000000000000 ] - [ 0.66518582737557, 0.00000000000000 ] - [ -0.21509203551444, 0.00000000000000 ] - # atom 2 - [ -0.10612837187547, 0.00000000000000 ] - [ -0.66518582737557, 0.00000000000000 ] - [ 0.21509203551444, 0.00000000000000 ] - q-position: [ 0.5000000, 0.3333333, 0.3333333 ] dynamical_matrix: - [ 0.0341502430, 0.0000000000, -0.5934520442, 0.0000000000, -0.3829470357, 0.0000000000, -0.0020689994, 0.0000000000, 0.6846711573, 0.0000000000, 0.1766950072, 0.0000000000 ] - [ -0.0663930958, -0.0314493537, -0.3839792978, 0.0037264448, 0.5891309708, -0.0085794355, -0.1567573658, 0.0088774303, 0.1718333428, -0.0015668882, -0.6676683537, 0.0061754466 ] - [ 0.5975932759, -0.3692139386, 0.0030324603, 0.0187480094, 0.0485924529, -0.0619793026, 0.6878626873, -0.0467863465, 0.0411748693, -0.0009400197, -0.1514930068, 0.0030946174 ] - [ 0.0329866017, 0.0088387333, -0.5732306562, -0.1535966914, -0.3698984318, -0.0991139861, 0.0019984999, 0.0005354964, -0.6613415534, -0.1772059351, -0.1706742709, -0.0457320330 ] - [ -0.0559911142, -0.0475615406, -0.3718599954, -0.0957816859, 0.5712773410, 0.1441912170, 0.1537136361, 0.0319968526, -0.1663838042, -0.0429602439, 0.6465164294, 0.1668402624 ] - [ 0.6727903778, -0.2019647577, -0.0019232102, 0.0188940450, 0.0629781292, -0.0472907569, -0.6765335321, -0.1328398235, -0.0400151646, -0.0097488511, 0.1471319537, 0.0362201045 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.03415024297468, 0.00000000000000 ] - [ -0.06639309577485, -0.03144935371916 ] - [ 0.59759327589655, -0.36921393864815 ] - # atom 2 - [ 0.03298660166330, 0.00883873327669 ] - [ -0.05599111419758, -0.04756154062722 ] - [ 0.67279037784441, -0.20196475773963 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.59345204421399, 0.00000000000000 ] - [ -0.38397929782080, 0.00372644484426 ] - [ 0.00303246029896, 0.01874800940467 ] - # atom 2 - [ -0.57323065617050, -0.15359669139700 ] - [ -0.37185999542177, -0.09578168588542 ] - [ -0.00192321017171, 0.01889404495437 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.38294703566291, 0.00000000000000 ] - [ 0.58913097077385, -0.00857943547126 ] - [ 0.04859245293876, -0.06197930264567 ] - # atom 2 - [ -0.36989843184775, -0.09911398609473 ] - [ 0.57127734103355, 0.14419121699874 ] - [ 0.06297812918311, -0.04729075685211 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00206899935097, 0.00000000000000 ] - [ -0.15675736579166, 0.00887743025360 ] - [ 0.68786268725925, -0.04678634651605 ] - # atom 2 - [ 0.00199849990768, 0.00053549643633 ] - [ 0.15371363610044, 0.03199685257380 ] - [ -0.67653353209357, -0.13283982345982 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.68467115731284, 0.00000000000000 ] - [ 0.17183334283544, -0.00156688823987 ] - [ 0.04117486925479, -0.00094001967165 ] - # atom 2 - [ -0.66134155336389, -0.17720593514426 ] - [ -0.16638380418041, -0.04296024389147 ] - [ -0.04001516460108, -0.00974885106464 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.17669500724575, 0.00000000000000 ] - [ -0.66766835368517, 0.00617544660153 ] - [ -0.15149300678401, 0.00309461735467 ] - # atom 2 - [ -0.17067427087506, -0.04573203304955 ] - [ 0.64651642941307, 0.16684026238400 ] - [ 0.14713195366359, 0.03622010453003 ] - q-position: [ 0.5000000, 0.3333333, 0.5000000 ] dynamical_matrix: - [ 0.0888162345, 0.0000000000, -0.5382364317, 0.0000000000, -0.4499035675, 0.0000000000, -0.0000000000, 0.0000000000, -0.5000000000, 0.0000000000, -0.5000000000, 0.0000000000 ] - [ 0.1105362101, -0.0180147533, 0.4567784337, -0.0400073282, -0.5246399480, 0.0443059367, -0.1052873765, 0.0256542120, -0.4940697686, -0.0048247987, 0.4940697686, 0.0048247987 ] - [ 0.6852505968, -0.1000025549, -0.0056621849, -0.0047285758, 0.1420503782, -0.0140847041, 0.6772435889, -0.1720393882, -0.0766275742, 0.0000000000, 0.0766275742, -0.0000000000 ] - [ 0.0769171154, 0.0444081173, -0.4661264231, -0.2691182158, -0.3896279187, -0.2249517838, -0.0000000000, -0.0000000000, 0.4330127019, 0.2500000000, 0.4330127019, 0.2500000000 ] - [ 0.1047345426, 0.0396668711, 0.4155853916, 0.1937418543, -0.4765044912, -0.2239499072, 0.1040086487, 0.0304264889, 0.4254645715, 0.2512132825, -0.4254645715, -0.2512132825 ] - [ 0.6434457022, 0.2560205454, -0.0025393081, -0.0069261592, 0.1300615882, 0.0588274776, -0.6725298466, -0.1896313138, 0.0663614258, 0.0383137871, -0.0663614258, -0.0383137871 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.08881623453442, 0.00000000000000 ] - [ 0.11053621013403, -0.01801475325066 ] - [ 0.68525059679981, -0.10000255488313 ] - # atom 2 - [ 0.07691711537531, 0.04440811726717 ] - [ 0.10473454263947, 0.03966687110898 ] - [ 0.64344570222878, 0.25602054542743 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.53823643169669, 0.00000000000000 ] - [ 0.45677843372922, -0.04000732817035 ] - [ -0.00566218490912, -0.00472857579156 ] - # atom 2 - [ -0.46612642309177, -0.26911821584810 ] - [ 0.41558539159565, 0.19374185433132 ] - [ -0.00253930807644, -0.00692615921377 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.44990356753146, 0.00000000000000 ] - [ -0.52463994801753, 0.04430593674931 ] - [ 0.14205037819987, -0.01408470406725 ] - # atom 2 - [ -0.38962791873561, -0.22495178376553 ] - [ -0.47650449119811, -0.22394990724515 ] - [ 0.13006158817193, 0.05882747757284 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.10528737649315, 0.02565421199564 ] - [ 0.67724358886219, -0.17203938823168 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.10400864873872, 0.03042648894423 ] - [ -0.67252984662074, -0.18963131377057 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.50000000000000, 0.00000000000000 ] - [ -0.49406976855159, -0.00482479869154 ] - [ -0.07662757415555, 0.00000000000000 ] - # atom 2 - [ 0.43301270189235, 0.24999999999977 ] - [ 0.42546457146194, 0.25121328251059 ] - [ 0.06636142584910, 0.03831378707774 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.50000000000000, 0.00000000000000 ] - [ 0.49406976855159, 0.00482479869154 ] - [ 0.07662757415555, -0.00000000000000 ] - # atom 2 - [ 0.43301270189235, 0.24999999999977 ] - [ -0.42546457146194, -0.25121328251059 ] - [ -0.06636142584910, -0.03831378707774 ] - q-position: [ 0.5000000, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1473261288, 0.4496278413, -0.4967938952, -0.1712473116, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3372867487, 0.4623484506, -0.4116026755, -0.0552702167 ] - [ -0.4151571717, -0.3221402472, -0.4569648838, 0.1226918047, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.3044283482, -0.2824799819, -0.5713038958, 0.0337683186 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2137595909, 0.4221102003, -0.2301961969, -0.4723764674, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0884319775, -0.5654274719, 0.2519650980, 0.3301289880 ] - [ -0.0657728981, -0.5213480046, -0.4098791752, -0.2363667610, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0155198386, 0.4150068601, 0.4278506659, 0.3800950517 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14732612880343, 0.44962784134245 ] - [ -0.41515717170566, -0.32214024716400 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21375959090064, 0.42211020034638 ] - [ -0.06577289810852, -0.52134800463408 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.49679389522899, -0.17124731158395 ] - [ -0.45696488377956, 0.12269180466031 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23019619688752, -0.47237646744948 ] - [ -0.40987917515597, -0.23636676101333 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33728674873505, 0.46234845062128 ] - [ -0.30442834815155, -0.28247998190591 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08843197747049, -0.56542747194032 ] - [ 0.01551983860826, 0.41500686011850 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41160267550626, -0.05527021668068 ] - [ -0.57130389576802, 0.03376831864996 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25196509799244, 0.33012898801756 ] - [ 0.42785066592251, 0.38009505170921 ] - q-position: [ 0.5000000, 0.3333333, 0.8333333 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, 0.2259240252, 0.0000000000, -0.1750502131, 0.0000000000, 0.9494146122, 0.0000000000, 0.0000000000, 0.0000000000, -0.1301063100, 0.0000000000 ] - [ 0.0067486118, 0.1515435306, -0.5476429301, -0.0342781126, -0.4236346264, -0.0364347559, 0.1439930096, 0.0061342293, -0.1567378211, 0.0030971366, 0.6697653925, 0.0342611326 ] - [ -0.3305944320, 0.8107536751, 0.0813308112, -0.0127062644, -0.0499276358, -0.0482432703, -0.0394995765, -0.0108842938, 0.2561326174, 0.3831384707, -0.0798350795, -0.0365805719 ] - [ 0.0464366907, -0.0252854648, 0.6159070929, 0.4614943072, -0.3608427205, -0.2682394034, -0.1699860781, -0.1263296859, -0.0027545256, -0.0334332883, 0.3145622854, 0.2404092970 ] - [ 0.0154562622, 0.0899006407, -0.0961394037, -0.1016257528, -0.4841506291, -0.4634101068, -0.1274777990, -0.1164308463, -0.2576171972, -0.2568608696, -0.4457801887, -0.4026000583 ] - [ -0.0717029437, 0.4405868361, 0.1296288070, 0.1113627772, 0.2664411188, 0.2478749238, 0.0255357431, 0.0291261482, -0.5762111409, -0.5454684959, 0.0529543484, 0.0724158524 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00674861183713, 0.15154353061564 ] - [ -0.33059443195159, 0.81075367505672 ] - # atom 2 - [ 0.04643669068547, -0.02528546475207 ] - [ 0.01545626216415, 0.08990064071488 ] - [ -0.07170294371648, 0.44058683612117 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.22592402522466, 0.00000000000000 ] - [ -0.54764293011039, -0.03427811256652 ] - [ 0.08133081116856, -0.01270626439026 ] - # atom 2 - [ 0.61590709287353, 0.46149430719099 ] - [ -0.09613940366063, -0.10162575278524 ] - [ 0.12962880695013, 0.11136277720519 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.17505021305861, 0.00000000000000 ] - [ -0.42363462636311, -0.03643475588132 ] - [ -0.04992763578270, -0.04824327031779 ] - # atom 2 - [ -0.36084272047087, -0.26823940344551 ] - [ -0.48415062910868, -0.46341010680361 ] - [ 0.26644111878917, 0.24787492382063 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.94941461218386, 0.00000000000000 ] - [ 0.14399300957970, 0.00613422929624 ] - [ -0.03949957651822, -0.01088429380628 ] - # atom 2 - [ -0.16998607814790, -0.12632968585213 ] - [ -0.12747779904727, -0.11643084631261 ] - [ 0.02553574309758, 0.02912614818263 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15673782105588, 0.00309713663439 ] - [ 0.25613261742788, 0.38313847069568 ] - # atom 2 - [ -0.00275452557174, -0.03343328825332 ] - [ -0.25761719720925, -0.25686086961613 ] - [ -0.57621114092876, -0.54546849589593 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.13010631001682, 0.00000000000000 ] - [ 0.66976539249730, 0.03426113260295 ] - [ -0.07983507951972, -0.03658057192775 ] - # atom 2 - [ 0.31456228540140, 0.24040929696686 ] - [ -0.44578018865337, -0.40260005834919 ] - [ 0.05295434839825, 0.07241585238799 ] - q-position: [ 0.5000000, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0745988822, 0.0000000000, 0.1030344108, 0.0000000000, 0.4618685827, 0.0000000000, 0.0000000000, 0.0000000000, -0.2076847890, 0.0000000000, -0.8528560006, 0.0000000000 ] - [ -0.4709626250, 0.0000000000, -0.7487737428, 0.0000000000, 0.3279593598, 0.0000000000, 0.0000000000, 0.0000000000, 0.3298387101, 0.0000000000, -0.0343681759, 0.0000000000 ] - [ 0.0703214662, 0.0000000000, 0.1472735055, 0.0000000000, 0.7855634035, 0.0000000000, 0.0000000000, 0.0000000000, -0.2921148334, 0.0000000000, 0.5205040530, 0.0000000000 ] - [ 0.5807674915, 0.0000000000, 0.0771271010, 0.0000000000, 0.2270441102, 0.0000000000, 0.0000000000, 0.0000000000, 0.7779273742, 0.0000000000, -0.0063642515, 0.0000000000 ] - [ -0.6560436150, 0.0000000000, 0.6333117062, 0.0000000000, 0.1022799187, 0.0000000000, 0.0000000000, 0.0000000000, 0.3969526148, 0.0000000000, -0.0221471863, 0.0000000000 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07459888217525, 0.00000000000000 ] - [ -0.47096262503207, 0.00000000000000 ] - # atom 2 - [ 0.07032146622914, 0.00000000000000 ] - [ 0.58076749149220, 0.00000000000000 ] - [ -0.65604361502445, 0.00000000000000 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10303441082634, 0.00000000000000 ] - [ -0.74877374278907, 0.00000000000000 ] - # atom 2 - [ 0.14727350547113, 0.00000000000000 ] - [ 0.07712710100913, 0.00000000000000 ] - [ 0.63331170616963, 0.00000000000000 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.46186858265637, 0.00000000000000 ] - [ 0.32795935984174, 0.00000000000000 ] - # atom 2 - [ 0.78556340349723, 0.00000000000000 ] - [ 0.22704411015854, 0.00000000000000 ] - [ 0.10227991872973, 0.00000000000000 ] - # 4 frequency: 911.3759468011 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 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.20768478898404, 0.00000000000000 ] - [ 0.32983871014792, 0.00000000000000 ] - # atom 2 - [ -0.29211483337181, 0.00000000000000 ] - [ 0.77792737415556, 0.00000000000000 ] - [ 0.39695261477438, 0.00000000000000 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.85285600059068, 0.00000000000000 ] - [ -0.03436817587114, 0.00000000000000 ] - # atom 2 - [ 0.52050405299444, 0.00000000000000 ] - [ -0.00636425153013, 0.00000000000000 ] - [ -0.02214718633568, 0.00000000000000 ] - q-position: [ 0.5000000, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.3459939779, -0.0180790041, 0.0000000000, 0.0000000000, 0.6160195267, 0.0219376283, 0.1182411365, 0.0042758169, 0.6968314256, -0.0206570889, 0.0000000000, 0.0000000000 ] - [ 0.6162777487, 0.0127692338, -0.0000000000, 0.0000000000, -0.3444279467, -0.0375242946, 0.6971185974, -0.0051392851, -0.1180019741, 0.0086477209, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019 ] - [ 0.3388837096, 0.0720868540, 0.0000000000, 0.0000000000, 0.5893512944, 0.1806277074, -0.1131055046, -0.0347331800, -0.6784339186, -0.1604000285, -0.0000000000, -0.0000000000 ] - [ 0.5919736727, 0.1718385511, 0.0000000000, 0.0000000000, -0.3229798469, -0.1253901975, -0.6746950020, -0.1754634015, 0.1162193492, 0.0221881013, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.34599397792702, -0.01807900410279 ] - [ 0.61627774867971, 0.01276923377319 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33888370959845, 0.07208685400200 ] - [ 0.59197367272506, 0.17183855111497 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.61601952673152, 0.02193762827565 ] - [ -0.34442794669748, -0.03752429459525 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.58935129436613, 0.18062770739245 ] - [ -0.32297984691546, -0.12539019753386 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11824113648234, 0.00427581694063 ] - [ 0.69711859735711, -0.00513928513599 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.11310550460044, -0.03473318004770 ] - [ -0.67469500204496, -0.17546340145001 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69683142560566, -0.02065708888596 ] - [ -0.11800197409443, 0.00864772091148 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67843391858231, -0.16040002852214 ] - [ 0.11621934919952, 0.02218810128846 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.5000000, 0.3333333 ] dynamical_matrix: - [ 0.0888162345, 0.0000000000, -0.5382364317, 0.0000000000, -0.4499035675, 0.0000000000, -0.0000000000, 0.0000000000, -0.5000000000, 0.0000000000, -0.5000000000, 0.0000000000 ] - [ 0.1105362101, -0.0180147533, 0.4567784337, -0.0400073282, -0.5246399480, 0.0443059367, -0.1052873765, 0.0256542120, -0.4940697686, -0.0048247987, 0.4940697686, 0.0048247987 ] - [ 0.6852505968, -0.1000025549, -0.0056621849, -0.0047285758, 0.1420503782, -0.0140847041, 0.6772435889, -0.1720393882, -0.0766275742, 0.0000000000, 0.0766275742, -0.0000000000 ] - [ 0.0769171154, 0.0444081173, -0.4661264231, -0.2691182158, -0.3896279187, -0.2249517838, -0.0000000000, -0.0000000000, 0.4330127019, 0.2500000000, 0.4330127019, 0.2500000000 ] - [ 0.1047345426, 0.0396668711, 0.4155853916, 0.1937418543, -0.4765044912, -0.2239499072, 0.1040086487, 0.0304264889, 0.4254645715, 0.2512132825, -0.4254645715, -0.2512132825 ] - [ 0.6434457022, 0.2560205454, -0.0025393081, -0.0069261592, 0.1300615882, 0.0588274776, -0.6725298466, -0.1896313138, 0.0663614258, 0.0383137871, -0.0663614258, -0.0383137871 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.08881623453442, 0.00000000000000 ] - [ 0.11053621013403, -0.01801475325066 ] - [ 0.68525059679981, -0.10000255488313 ] - # atom 2 - [ 0.07691711537531, 0.04440811726717 ] - [ 0.10473454263947, 0.03966687110898 ] - [ 0.64344570222878, 0.25602054542743 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.53823643169669, 0.00000000000000 ] - [ 0.45677843372922, -0.04000732817035 ] - [ -0.00566218490912, -0.00472857579156 ] - # atom 2 - [ -0.46612642309177, -0.26911821584810 ] - [ 0.41558539159565, 0.19374185433132 ] - [ -0.00253930807644, -0.00692615921377 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.44990356753146, 0.00000000000000 ] - [ -0.52463994801753, 0.04430593674931 ] - [ 0.14205037819987, -0.01408470406725 ] - # atom 2 - [ -0.38962791873561, -0.22495178376553 ] - [ -0.47650449119811, -0.22394990724515 ] - [ 0.13006158817193, 0.05882747757284 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.10528737649315, 0.02565421199564 ] - [ 0.67724358886219, -0.17203938823168 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.10400864873872, 0.03042648894423 ] - [ -0.67252984662074, -0.18963131377057 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.50000000000000, 0.00000000000000 ] - [ -0.49406976855159, -0.00482479869154 ] - [ -0.07662757415555, 0.00000000000000 ] - # atom 2 - [ 0.43301270189235, 0.24999999999977 ] - [ 0.42546457146194, 0.25121328251059 ] - [ 0.06636142584910, 0.03831378707774 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.50000000000000, 0.00000000000000 ] - [ 0.49406976855159, 0.00482479869154 ] - [ 0.07662757415555, -0.00000000000000 ] - # atom 2 - [ 0.43301270189235, 0.24999999999977 ] - [ -0.42546457146194, -0.25121328251059 ] - [ -0.06636142584910, -0.03831378707774 ] - q-position: [ 0.5000000, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0073310265, 0.0000000000, 0.4332200804, -0.0000000000, 0.5588082122, 0.0000000000, 0.0302675247, 0.0000000000, 0.6829690117, 0.0000000000, -0.1806577039, 0.0000000000 ] - [ 0.0807432337, 0.0004332786, 0.5546695359, -0.0000187172, -0.4310708155, 0.0000088265, -0.1031625769, -0.0317255612, -0.1743850562, 0.0052203085, -0.6765394595, 0.0144198376 ] - [ -0.7024143773, -0.0063750325, 0.0682787791, 0.0002753954, -0.0437186127, -0.0001298680, 0.6908850143, -0.1005621472, -0.0533115717, 0.0165470811, -0.0857908180, 0.0457073027 ] - [ 0.0051838185, 0.0051838185, 0.3063328566, 0.3063328566, 0.3951370762, 0.3951370762, -0.0214023720, -0.0214023720, -0.4829320195, -0.4829320195, 0.1277442875, 0.1277442875 ] - [ 0.0567877139, 0.0574004623, 0.3922238252, 0.3921973551, -0.3048193381, -0.3048068556, 0.0505135982, 0.0953803171, 0.1270001713, 0.1196175402, 0.4885820045, 0.4681892747 ] - [ -0.4921741407, -0.5011897981, 0.0480856537, 0.0484751217, -0.0308218969, -0.0310055580, -0.5596376549, -0.4174213024, 0.0493975271, 0.0259964206, 0.0929832129, 0.0283433255 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00733102646435, 0.00000000000000 ] - [ 0.08074323374621, 0.00043327857835 ] - [ -0.70241437733420, -0.00637503247568 ] - # atom 2 - [ 0.00518381852600, 0.00518381852600 ] - [ 0.05678771389598, 0.05740046233777 ] - [ -0.49217414072210, -0.50118979810977 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.43322008040846, -0.00000000000000 ] - [ 0.55466953590758, -0.00001871722931 ] - [ 0.06827877908966, 0.00027539543999 ] - # atom 2 - [ 0.30633285660301, 0.30633285660301 ] - [ 0.39222382523761, 0.39219735507807 ] - [ 0.04808565372231, 0.04847512168856 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.55880821216394, 0.00000000000000 ] - [ -0.43107081550682, 0.00000882646811 ] - [ -0.04371861265895, -0.00012986799637 ] - # atom 2 - [ 0.39513707620386, 0.39513707620386 ] - [ -0.30481933807194, -0.30480685556103 ] - [ -0.03082189693432, -0.03100555801610 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.03026752472562, 0.00000000000000 ] - [ -0.10316257689017, -0.03172556116169 ] - [ 0.69088501430110, -0.10056214724987 ] - # atom 2 - [ -0.02140237198322, -0.02140237198322 ] - [ 0.05051359824934, 0.09538031711810 ] - [ -0.55963765488354, -0.41742130238141 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.68296901172083, 0.00000000000000 ] - [ -0.17438505622487, 0.00522030851853 ] - [ -0.05331157172792, 0.01654708111403 ] - # atom 2 - [ -0.48293201952807, -0.48293201952807 ] - [ 0.12700017134755, 0.11961754024086 ] - [ 0.04939752714910, 0.02599642061995 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.18065770389347, 0.00000000000000 ] - [ -0.67653945954964, 0.01441983755324 ] - [ -0.08579081804626, 0.04570730270010 ] - # atom 2 - [ 0.12774428749666, 0.12774428749666 ] - [ 0.48858200450533, 0.46818927467033 ] - [ 0.09298321289304, 0.02834332551506 ] - q-position: [ 0.5000000, 0.5000000, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.2009234630, -0.0508056346, 0.0000000000, 0.0000000000, -0.6450155183, 0.2024932855, 0.2126571720, -0.0422687924, 0.6564081408, -0.1487233308, 0.0000000000, 0.0000000000 ] - [ -0.6756173089, -0.0242858275, -0.0000000000, 0.0000000000, -0.2072033780, 0.0042673920, -0.6730078601, -0.0071201589, 0.2167894278, -0.0034738499, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.3535533906, -0.6123724357, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3535533906, 0.6123724357 ] - [ 0.1444607017, 0.1486020059, 0.0000000000, 0.0000000000, -0.4978720885, -0.4573531819, -0.1429344340, -0.1630321170, -0.4570022530, -0.4941044597, -0.0000000000, -0.0000000000 ] - [ -0.3167765108, -0.5972446665, 0.0000000000, 0.0000000000, -0.1072973589, -0.1773096931, 0.3303376916, 0.5864019832, -0.1114031562, -0.1860082267, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20092346302233, -0.05080563462254 ] - [ -0.67561730889509, -0.02428582753513 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14446070174960, 0.14860200588249 ] - [ -0.31677651084988, -0.59724466650736 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.35355339059295, -0.61237243569598 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64501551826813, 0.20249328554549 ] - [ -0.20720337803120, 0.00426739203103 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.49787208851200, -0.45735318188290 ] - [ -0.10729735892229, -0.17730969310951 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.21265717200241, -0.04226879244462 ] - [ -0.67300786007183, -0.00712015889876 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14293443404545, -0.16303211702881 ] - [ 0.33033769155030, 0.58640198321836 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.65640814075086, -0.14872333084360 ] - [ 0.21678942775279, -0.00347384994018 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45700225302117, -0.49410445971959 ] - [ -0.11140315617343, -0.18600822673577 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.35355339059295, 0.61237243569598 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.1041221042, -0.0879034199, 0.0000000000, 0.0000000000, -0.6924177932, 0.0446001773, 0.1422194191, -0.0512503046, 0.0000000000, 0.0000000000, 0.6900573349, -0.0311113756 ] - [ -0.6865973810, 0.1000780328, -0.0000000000, 0.0000000000, -0.1200987358, -0.0643794802, -0.6892693335, 0.0453302214, 0.0000000000, 0.0000000000, 0.1470116304, 0.0352212639 ] - [ -0.0000000000, 0.0000000000, -0.1830127019, -0.6830127019, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.1830127019, 0.6830127019, -0.0000000000, -0.0000000000 ] - [ 0.1118569671, 0.0778231503, 0.0000000000, 0.0000000000, -0.2222913751, -0.6572808538, -0.0863130871, -0.1241088550, -0.0000000000, -0.0000000000, -0.2086512616, -0.6584919849 ] - [ -0.2743724350, -0.6373000417, 0.0000000000, 0.0000000000, 0.0311019625, -0.1326691062, 0.2221816623, 0.6540507259, -0.0000000000, -0.0000000000, -0.0040282814, -0.1511182644 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10412210420474, -0.08790341988253 ] - [ -0.68659738096516, 0.10007803275801 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11185696706804, 0.07782315034362 ] - [ -0.27437243499680, -0.63730004166237 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189258, -0.68301270189212 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69241779322761, 0.04460017725011 ] - [ -0.12009873579749, -0.06437948020070 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22229137511846, -0.65728085377324 ] - [ 0.03110196249172, -0.13266910620122 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14221941911883, -0.05125030458022 ] - [ -0.68926933352403, 0.04533022136808 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.08631308705065, -0.12410885503399 ] - [ 0.22218166225231, 0.65405072591103 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189258, 0.68301270189212 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69005733487587, -0.03111137557149 ] - [ 0.14701163037259, 0.03522126387931 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.20865126163479, -0.65849198485946 ] - [ -0.00402828137651, -0.15111826442629 ] - q-position: [ 0.5000000, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0126110920, 0.0922905738, 0.6979701588, 0.0645063391, 0.0000000000, 0.0000000000, 0.1467205846, 0.0048257569, 0.0000000000, 0.0000000000, -0.6913045615, 0.0234048150 ] - [ -0.6933333179, -0.1030161180, 0.0341578774, -0.0866592699, -0.0000000000, 0.0000000000, 0.6916748843, -0.0059696315, 0.0000000000, 0.0000000000, 0.1463833568, -0.0110512768 ] - [ -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019, 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019, 0.0000000000, -0.0000000000 ] - [ 0.0117051787, -0.0924098395, -0.6574919333, -0.2429563089, -0.0000000000, -0.0000000000, 0.1404722041, 0.0426354048, 0.0000000000, 0.0000000000, -0.6738065417, -0.1563154712 ] - [ 0.6430460247, 0.2789537962, -0.0554230455, 0.0748657177, -0.0000000000, -0.0000000000, 0.6696516885, 0.1732524119, 0.0000000000, 0.0000000000, 0.1442557458, 0.0272120870 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.01261109198535, 0.09229057378460 ] - [ -0.69333331794891, -0.10301611801755 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.01170517873259, -0.09240983952692 ] - [ 0.64304602473792, 0.27895379620683 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69797015879334, 0.06450633909511 ] - [ 0.03415787743866, -0.08665926989906 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.65749193326978, -0.24295630890062 ] - [ -0.05542304547382, 0.07486571766143 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14672058457227, 0.00482575686960 ] - [ 0.69167488434499, -0.00596963145865 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14047220410168, 0.04263540478769 ] - [ 0.66965168849798, 0.17325241188857 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69130456151139, 0.02340481503768 ] - [ 0.14638335680205, -0.01105127675680 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.67380654167407, -0.15631547118133 ] - [ 0.14425574577134, 0.02721208699362 ] - q-position: [ 0.5000000, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0933927923, 0.0706939572, -0.0354294020, 0.0237746932, 0.0000000000, 0.0000000000, -0.0838674892, 0.0849501172, -0.1494245624, 0.3154591410, 0.8123739274, 0.4340689192 ] - [ 0.4547394263, 0.1095678793, 0.8089895538, -0.2875979421, 0.0000000000, 0.0000000000, -0.0335581011, 0.0286327289, -0.1734341748, 0.0774069832, -0.0608489030, -0.0480670074 ] - [ -0.0474096022, 0.0000381099, 0.0276846726, -0.0282831489, 0.0000000000, 0.0000000000, -0.9537315767, -0.1607091672, 0.2410574645, 0.0304928714, -0.0234160807, -0.0341725687 ] - [ -0.0851064756, -0.0450974066, -0.1815237759, -0.0278477634, 0.0000000000, 0.0000000000, -0.2099757455, 0.0118946654, -0.8813453706, 0.0565906294, -0.0057131761, -0.3643633266 ] - [ -0.8691784399, 0.0221667370, 0.3961412222, -0.2622636503, 0.0000000000, 0.0000000000, 0.0566844671, 0.0304624377, 0.0002508611, 0.0554602155, 0.1053796151, -0.0023525551 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09339279228358, 0.07069395723538 ] - [ 0.45473942632527, 0.10956787932376 ] - # atom 2 - [ -0.04740960219771, 0.00003810990457 ] - [ -0.08510647563348, -0.04509740662385 ] - [ -0.86917843989811, 0.02216673702103 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03542940202317, 0.02377469323707 ] - [ 0.80898955380757, -0.28759794205332 ] - # atom 2 - [ 0.02768467257676, -0.02828314890045 ] - [ -0.18152377591097, -0.02784776336511 ] - [ 0.39614122224101, -0.26226365032017 ] - # 3 frequency: 911.3759468011 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 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08386748917013, 0.08495011723320 ] - [ -0.03355810111323, 0.02863272894515 ] - # atom 2 - [ -0.95373157672233, -0.16070916718239 ] - [ -0.20997574546782, 0.01189466542273 ] - [ 0.05668446711357, 0.03046243767709 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14942456240693, 0.31545914095283 ] - [ -0.17343417475315, 0.07740698316826 ] - # atom 2 - [ 0.24105746454538, 0.03049287143962 ] - [ -0.88134537063160, 0.05659062939462 ] - [ 0.00025086107285, 0.05546021548177 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.81237392741784, 0.43406891921275 ] - [ -0.06084890297273, -0.04806700736582 ] - # atom 2 - [ -0.02341608070357, -0.03417256865908 ] - [ -0.00571317613861, -0.36436332660508 ] - [ 0.10537961510201, -0.00235255509420 ] - q-position: [ 0.5000000, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1473261288, 0.4496278413, -0.4967938952, -0.1712473116, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3372867487, 0.4623484506, -0.4116026755, -0.0552702167 ] - [ -0.4151571717, -0.3221402472, -0.4569648838, 0.1226918047, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.3044283482, -0.2824799819, -0.5713038958, 0.0337683186 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2137595909, 0.4221102003, -0.2301961969, -0.4723764674, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0884319775, -0.5654274719, 0.2519650980, 0.3301289880 ] - [ -0.0657728981, -0.5213480046, -0.4098791752, -0.2363667610, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0155198386, 0.4150068601, 0.4278506659, 0.3800950517 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14732612880343, 0.44962784134245 ] - [ -0.41515717170566, -0.32214024716400 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21375959090064, 0.42211020034638 ] - [ -0.06577289810852, -0.52134800463408 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.49679389522899, -0.17124731158395 ] - [ -0.45696488377956, 0.12269180466031 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23019619688752, -0.47237646744948 ] - [ -0.40987917515597, -0.23636676101333 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33728674873505, 0.46234845062128 ] - [ -0.30442834815155, -0.28247998190591 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08843197747049, -0.56542747194032 ] - [ 0.01551983860826, 0.41500686011850 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41160267550626, -0.05527021668068 ] - [ -0.57130389576802, 0.03376831864996 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25196509799244, 0.33012898801756 ] - [ 0.42785066592251, 0.38009505170921 ] - q-position: [ 0.5000000, 0.6666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.2009234630, -0.0508056346, 0.0000000000, 0.0000000000, -0.6450155183, 0.2024932855, 0.2126571720, -0.0422687924, 0.6564081408, -0.1487233308, 0.0000000000, 0.0000000000 ] - [ -0.6756173089, -0.0242858275, -0.0000000000, 0.0000000000, -0.2072033780, 0.0042673920, -0.6730078601, -0.0071201589, 0.2167894278, -0.0034738499, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.3535533906, -0.6123724357, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3535533906, 0.6123724357 ] - [ 0.1444607017, 0.1486020059, 0.0000000000, 0.0000000000, -0.4978720885, -0.4573531819, -0.1429344340, -0.1630321170, -0.4570022530, -0.4941044597, -0.0000000000, -0.0000000000 ] - [ -0.3167765108, -0.5972446665, 0.0000000000, 0.0000000000, -0.1072973589, -0.1773096931, 0.3303376916, 0.5864019832, -0.1114031562, -0.1860082267, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20092346302233, -0.05080563462254 ] - [ -0.67561730889509, -0.02428582753513 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14446070174960, 0.14860200588249 ] - [ -0.31677651084988, -0.59724466650736 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.35355339059295, -0.61237243569598 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64501551826813, 0.20249328554549 ] - [ -0.20720337803120, 0.00426739203103 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.49787208851200, -0.45735318188290 ] - [ -0.10729735892229, -0.17730969310951 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.21265717200241, -0.04226879244462 ] - [ -0.67300786007183, -0.00712015889876 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14293443404545, -0.16303211702881 ] - [ 0.33033769155030, 0.58640198321836 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.65640814075086, -0.14872333084360 ] - [ 0.21678942775279, -0.00347384994018 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45700225302117, -0.49410445971959 ] - [ -0.11140315617343, -0.18600822673577 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.35355339059295, 0.61237243569598 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.2517861403, 0.0000000000, 0.6581203026, 0.0000000000, 0.0590034472, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.2671972181, -0.0059005244, 0.1591472988, 0.0032773231, -0.6349037891, -0.0113756508, 0.0738609528, 0.4013009143, 0.5774312346, 0.0086778520, 0.0000000000, 0.0000000000 ] - [ -0.6042909030, 0.0026598035, 0.2038098036, -0.0007922229, 0.3054178238, -0.0025138132, -0.1130572536, -0.5663216341, 0.4080414981, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0651670484, 0.2432067356, 0.1703340683, 0.6356953971, 0.0152712159, 0.0569929535, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.1830127019, -0.6830127019 ] - [ -0.0634562599, -0.2596198618, 0.0380247009, 0.1545727198, -0.1533371575, -0.6162142022, 0.3685102960, -0.1752085213, -0.1410680394, -0.5600017358, 0.0000000000, 0.0000000000 ] - [ -0.1589711673, -0.5830117820, 0.0535150874, 0.1966601106, 0.0814761066, 0.2943603411, -0.5177633219, 0.2557797457, -0.1056089109, -0.3941378212, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.25178614033169, 0.00000000000000 ] - [ -0.26719721811264, -0.00590052441996 ] - [ -0.60429090298204, 0.00265980346307 ] - # atom 2 - [ 0.06516704841044, 0.24320673564809 ] - [ -0.06345625991980, -0.25961986178363 ] - [ -0.15897116733118, -0.58301178198958 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.65812030264500, 0.00000000000000 ] - [ 0.15914729881990, 0.00327732312013 ] - [ 0.20380980364240, -0.00079222294539 ] - # atom 2 - [ 0.17033406829250, 0.63569539713016 ] - [ 0.03802470086822, 0.15457271975477 ] - [ 0.05351508736418, 0.19666011060292 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.05900344721558, 0.00000000000000 ] - [ -0.63490378912386, -0.01137565084285 ] - [ 0.30541782378248, -0.00251381318254 ] - # atom 2 - [ 0.01527121586603, 0.05699295350563 ] - [ -0.15333715749241, -0.61621420221225 ] - [ 0.08147610658384, 0.29436034107312 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07386095280479, 0.40130091429210 ] - [ -0.11305725360105, -0.56632163409787 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.36851029595304, -0.17520852130393 ] - [ -0.51776332194269, 0.25577974566013 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.57743123462709, 0.00867785204598 ] - [ 0.40804149808678, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14106803935004, -0.56000173581252 ] - [ -0.10560891089661, -0.39413782119982 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189150, -0.68301270189241 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.5000000, 0.6666667, 0.8333333 ] dynamical_matrix: - [ -0.0148090545, 0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0179605861, -0.1812121500, -0.6688254429, 0.0327572898, -0.1357617519, 0.0027942175, 0.1942578842, 0.0036398862, 0.6798752109, -0.0045081417, 0.0000000000, 0.0000000000 ] - [ -0.4365381067, 0.5254091238, -0.1506443094, -0.0949769588, -0.0399970945, -0.0081015946, 0.6798704886, -0.0051715050, -0.1941863766, 0.0064051115, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0148090545, 0.0000000000, -0.1410147377, -0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812 ] - [ 0.1812121500, 0.0179605861, -0.0327572898, -0.6688254429, -0.0027942175, -0.1357617519, 0.0036398862, -0.1942578842, -0.0045081417, -0.6798752109, 0.0000000000, 0.0000000000 ] - [ -0.5254091238, -0.4365381067, 0.0949769588, -0.1506443094, 0.0081015946, -0.0399970945, -0.0051715050, -0.6798704886, 0.0064051115, 0.1941863766, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.01480905452857, 0.00000000000000 ] - [ 0.01796058605244, -0.18121215002064 ] - [ -0.43653810665183, 0.52540912380577 ] - # atom 2 - [ 0.00000000000000, -0.01480905452857 ] - [ 0.18121215002064, 0.01796058605244 ] - [ -0.52540912380577, -0.43653810665183 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.14101473766073, 0.00000000000000 ] - [ -0.66882544290349, 0.03275728975493 ] - [ -0.15064430938648, -0.09497695881005 ] - # atom 2 - [ 0.00000000000000, -0.14101473766073 ] - [ -0.03275728975493, -0.66882544290349 ] - [ 0.09497695881005, -0.15064430938648 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.69274492828634, 0.00000000000000 ] - [ -0.13576175188505, 0.00279421751259 ] - [ -0.03999709454671, -0.00810159459420 ] - # atom 2 - [ -0.00000000000000, 0.69274492828634 ] - [ -0.00279421751259, -0.13576175188505 ] - [ 0.00810159459420, -0.03999709454671 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19425788415803, 0.00363988623126 ] - [ 0.67987048855418, -0.00517150498114 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00363988623126, -0.19425788415803 ] - [ -0.00517150498114, -0.67987048855418 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67987521085057, -0.00450814169741 ] - [ -0.19418637664807, 0.00640511152343 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00450814169741, -0.67987521085057 ] - [ 0.00640511152343, 0.19418637664807 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3787500114, -0.2541560135, -0.4017558431, -0.3613106588, 0.0000000000, 0.0000000000, 0.1282234124, -0.0601938082, 0.0000000000, 0.0000000000, -0.6926763873, -0.0116139786 ] - [ -0.5373373841, -0.0567598919, 0.4423160074, 0.1113705526, -0.0000000000, 0.0000000000, 0.6909674325, 0.0499946915, 0.0000000000, 0.0000000000, 0.1223661671, 0.0713516586 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.6123724357, 0.3535533906, 0.0000000000, 0.0000000000, -0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000 ] - [ 0.2009291248, 0.4094805699, 0.1672754369, 0.5137821307, -0.0000000000, -0.0000000000, 0.1411416366, 0.0119823391, 0.0000000000, 0.0000000000, -0.5940683587, -0.3563961941 ] - [ 0.4369678791, 0.3178242003, -0.3273716226, -0.3176077315, -0.0000000000, -0.0000000000, 0.5733980040, 0.3887803892, 0.0000000000, 0.0000000000, 0.0702963800, 0.1229754325 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.37875001142841, -0.25415601351587 ] - [ -0.53733738406173, -0.05675989188139 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20092912482293, 0.40948056994343 ] - [ 0.43696787906001, 0.31782420031598 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.40175584313831, -0.36131065877015 ] - [ 0.44231600737135, 0.11137055259976 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16727543689181, 0.51378213072211 ] - [ -0.32737162258438, -0.31760773147041 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, 0.35355339059295 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12822341240997, -0.06019380824268 ] - [ 0.69096743250084, 0.04999469154202 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14114163662831, 0.01198233911622 ] - [ 0.57339800396263, 0.38878038917988 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, -0.35355339059295 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69267638725527, -0.01161397856769 ] - [ 0.12236616710047, 0.07135165863492 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.59406835868104, -0.35639619410595 ] - [ 0.07029637995534, 0.12297543253019 ] - q-position: [ 0.5000000, 0.8333333, 0.1666667 ] dynamical_matrix: - [ -0.0455059890, 0.0000000000, 0.6146635997, -0.0000000000, 0.3465802421, 0.0000000000, 0.0157248129, 0.0000000000, -0.6021717409, 0.0000000000, -0.3703267809, 0.0000000000 ] - [ -0.1955572429, 0.0649419530, 0.3210953454, 0.0110236153, -0.5951425430, -0.0110236153, -0.0094109061, 0.0929830273, 0.3668671271, 0.0112141433, -0.5969457592, -0.0142865700 ] - [ 0.3267954060, -0.5904861345, 0.0944371294, -0.1002324642, -0.1245769738, 0.1002324642, 0.5679056432, 0.4104893448, -0.0148671233, 0.0495067376, 0.0482891663, -0.0630704864 ] - [ 0.0321775934, 0.0321775934, -0.4346327995, -0.4346327995, -0.2450692394, -0.2450692394, 0.0111191218, 0.0111191218, -0.4257997215, -0.4257997215, -0.2618605780, -0.2618605780 ] - [ 0.1842007479, 0.0923589572, -0.2192538230, -0.2348435693, 0.4130344548, 0.4286242010, -0.0724034447, 0.0590944136, 0.2514846366, 0.2673438302, -0.4120022638, -0.4322065249 ] - [ -0.6486159976, 0.1864575023, -0.1376521897, 0.0040979205, 0.1589642780, 0.0172141678, 0.1113101321, 0.6918297307, -0.0455191936, 0.0244939062, 0.0787431656, -0.0104519717 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.04550598899050, 0.00000000000000 ] - [ -0.19555724288475, 0.06494195302434 ] - [ 0.32679540599415, -0.59048613453647 ] - # atom 2 - [ 0.03217759339978, 0.03217759339978 ] - [ 0.18420074792096, 0.09235895718694 ] - [ -0.64861599756644, 0.18645750228829 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.61466359969213, -0.00000000000000 ] - [ 0.32109534541419, 0.01102361528646 ] - [ 0.09443712935550, -0.10023246416191 ] - # atom 2 - [ -0.43463279949083, -0.43463279949083 ] - [ -0.21925382302757, -0.23484356927206 ] - [ -0.13765218966699, 0.00409792054086 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.34658024205012, 0.00000000000000 ] - [ -0.59514254297443, -0.01102361528646 ] - [ -0.12457697378111, 0.10023246416191 ] - # atom 2 - [ -0.24506923937891, -0.24506923937891 ] - [ 0.41303445478758, 0.42862420103207 ] - [ 0.15896427804424, 0.01721416783640 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.01572481291582, 0.00000000000000 ] - [ -0.00941090611567, 0.09298302729896 ] - [ 0.56790564319640, 0.41048934476409 ] - # atom 2 - [ 0.01111912184567, 0.01111912184567 ] - [ -0.07240344466985, 0.05909441360685 ] - [ 0.11131013209077, 0.69182973066579 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.60217174094925, 0.00000000000000 ] - [ 0.36686712713303, 0.01121414329422 ] - [ -0.01486712327739, 0.04950673759131 ] - # atom 2 - [ -0.42579972146413, -0.42579972146413 ] - [ 0.25148463662165, 0.26734383015873 ] - [ -0.04551919355142, 0.02449390617906 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.37032678091235, 0.00000000000000 ] - [ -0.59694575919181, -0.01428657001008 ] - [ 0.04828916627607, -0.06307048643952 ] - # atom 2 - [ -0.26186057803811, -0.26186057803811 ] - [ -0.41200226379105, -0.43220652485910 ] - [ 0.07874316558577, -0.01045197172246 ] - q-position: [ 0.5000000, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.0019565545, 0.0000000000, -0.0029551556, 0.0000000000, -0.9011306904, 0.0000000000, 0.0074259664, 0.0000000000, 0.4289340199, 0.0000000000, 0.0625410214, 0.0000000000 ] - [ 0.3274788665, 0.1943614112, -0.0519634521, -0.0906435960, 0.0041702136, -0.0095579151, -0.4086294827, -0.3859629419, -0.0708154988, -0.0765769745, 0.5815904779, 0.4229470760 ] - [ 0.6509797966, -0.2657729376, 0.0887347531, -0.5950081619, -0.0095402179, 0.0060906512, 0.3543122457, 0.0750424082, -0.0140052814, 0.0016843944, -0.0996498711, 0.0474948074 ] - [ -0.0189100816, 0.0137010060, -0.0451422509, 0.0055058633, -0.3251091104, -0.2853841092, 0.0213036941, -0.0042015426, -0.6696247757, -0.5893680508, -0.0958659508, -0.0695176956 ] - [ 0.1817562029, 0.0869883424, 0.0252976069, -0.1108157181, -0.0065020623, -0.0110948799, -0.3968031551, -0.5887882201, 0.0583847990, 0.0559247101, -0.4514899901, -0.4814648113 ] - [ 0.2387911429, 0.5122486194, -0.7821920794, 0.0188031209, 0.0169147079, 0.0116240551, 0.1285593130, 0.1780661917, 0.0383748955, 0.0343034028, -0.0791691587, -0.1040611945 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00195655445217, 0.00000000000000 ] - [ 0.32747886650648, 0.19436141116443 ] - [ 0.65097979660083, -0.26577293761177 ] - # atom 2 - [ -0.01891008157398, 0.01370100599757 ] - [ 0.18175620285509, 0.08698834240393 ] - [ 0.23879114291427, 0.51224861943393 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00295515556175, 0.00000000000000 ] - [ -0.05196345208621, -0.09064359603492 ] - [ 0.08873475306393, -0.59500816190565 ] - # atom 2 - [ -0.04514225092038, 0.00550586334955 ] - [ 0.02529760691969, -0.11081571805741 ] - [ -0.78219207940022, 0.01880312088012 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.90113069038924, 0.00000000000000 ] - [ 0.00417021362401, -0.00955791505847 ] - [ -0.00954021789011, 0.00609065115274 ] - # atom 2 - [ -0.32510911036737, -0.28538410924608 ] - [ -0.00650206233512, -0.01109487985464 ] - [ 0.01691470789934, 0.01162405509501 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00742596636649, 0.00000000000000 ] - [ -0.40862948269919, -0.38596294189062 ] - [ 0.35431224571471, 0.07504240816686 ] - # atom 2 - [ 0.02130369412736, -0.00420154262703 ] - [ -0.39680315505633, -0.58878822007066 ] - [ 0.12855931302701, 0.17806619169913 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.42893401993477, 0.00000000000000 ] - [ -0.07081549875049, -0.07657697448638 ] - [ -0.01400528140343, 0.00168439439698 ] - # atom 2 - [ -0.66962477568310, -0.58936805084609 ] - [ 0.05838479900113, 0.05592471010264 ] - [ 0.03837489545775, 0.03430340279821 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.06254102137804, 0.00000000000000 ] - [ 0.58159047789014, 0.42294707596092 ] - [ -0.09964987113987, 0.04749480739498 ] - # atom 2 - [ -0.09586595084408, -0.06951769561900 ] - [ -0.45148999005801, -0.48146481129755 ] - [ -0.07916915872735, -0.10406119445576 ] - q-position: [ 0.5000000, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.1041221042, -0.0879034199, 0.0000000000, 0.0000000000, -0.6924177932, 0.0446001773, 0.1422194191, -0.0512503046, 0.0000000000, 0.0000000000, 0.6900573349, -0.0311113756 ] - [ -0.6865973810, 0.1000780328, -0.0000000000, 0.0000000000, -0.1200987358, -0.0643794802, -0.6892693335, 0.0453302214, 0.0000000000, 0.0000000000, 0.1470116304, 0.0352212639 ] - [ -0.0000000000, 0.0000000000, -0.1830127019, -0.6830127019, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.1830127019, 0.6830127019, -0.0000000000, -0.0000000000 ] - [ 0.1118569671, 0.0778231503, 0.0000000000, 0.0000000000, -0.2222913751, -0.6572808538, -0.0863130871, -0.1241088550, -0.0000000000, -0.0000000000, -0.2086512616, -0.6584919849 ] - [ -0.2743724350, -0.6373000417, 0.0000000000, 0.0000000000, 0.0311019625, -0.1326691062, 0.2221816623, 0.6540507259, -0.0000000000, -0.0000000000, -0.0040282814, -0.1511182644 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10412210420474, -0.08790341988253 ] - [ -0.68659738096516, 0.10007803275801 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11185696706804, 0.07782315034362 ] - [ -0.27437243499680, -0.63730004166237 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189258, -0.68301270189212 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69241779322761, 0.04460017725011 ] - [ -0.12009873579749, -0.06437948020070 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22229137511846, -0.65728085377324 ] - [ 0.03110196249172, -0.13266910620122 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14221941911883, -0.05125030458022 ] - [ -0.68926933352403, 0.04533022136808 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.08631308705065, -0.12410885503399 ] - [ 0.22218166225231, 0.65405072591103 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189258, 0.68301270189212 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69005733487587, -0.03111137557149 ] - [ 0.14701163037259, 0.03522126387931 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.20865126163479, -0.65849198485946 ] - [ -0.00402828137651, -0.15111826442629 ] - q-position: [ 0.5000000, 0.8333333, 0.6666667 ] dynamical_matrix: - [ -0.0148090545, 0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0179605861, -0.1812121500, -0.6688254429, 0.0327572898, -0.1357617519, 0.0027942175, 0.1942578842, 0.0036398862, 0.6798752109, -0.0045081417, 0.0000000000, 0.0000000000 ] - [ -0.4365381067, 0.5254091238, -0.1506443094, -0.0949769588, -0.0399970945, -0.0081015946, 0.6798704886, -0.0051715050, -0.1941863766, 0.0064051115, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0148090545, 0.0000000000, -0.1410147377, -0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812 ] - [ 0.1812121500, 0.0179605861, -0.0327572898, -0.6688254429, -0.0027942175, -0.1357617519, 0.0036398862, -0.1942578842, -0.0045081417, -0.6798752109, 0.0000000000, 0.0000000000 ] - [ -0.5254091238, -0.4365381067, 0.0949769588, -0.1506443094, 0.0081015946, -0.0399970945, -0.0051715050, -0.6798704886, 0.0064051115, 0.1941863766, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.01480905452857, 0.00000000000000 ] - [ 0.01796058605244, -0.18121215002064 ] - [ -0.43653810665183, 0.52540912380577 ] - # atom 2 - [ 0.00000000000000, -0.01480905452857 ] - [ 0.18121215002064, 0.01796058605244 ] - [ -0.52540912380577, -0.43653810665183 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.14101473766073, 0.00000000000000 ] - [ -0.66882544290349, 0.03275728975493 ] - [ -0.15064430938648, -0.09497695881005 ] - # atom 2 - [ 0.00000000000000, -0.14101473766073 ] - [ -0.03275728975493, -0.66882544290349 ] - [ 0.09497695881005, -0.15064430938648 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.69274492828634, 0.00000000000000 ] - [ -0.13576175188505, 0.00279421751259 ] - [ -0.03999709454671, -0.00810159459420 ] - # atom 2 - [ -0.00000000000000, 0.69274492828634 ] - [ -0.00279421751259, -0.13576175188505 ] - [ 0.00810159459420, -0.03999709454671 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19425788415803, 0.00363988623126 ] - [ 0.67987048855418, -0.00517150498114 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00363988623126, -0.19425788415803 ] - [ -0.00517150498114, -0.67987048855418 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67987521085057, -0.00450814169741 ] - [ -0.19418637664807, 0.00640511152343 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00450814169741, -0.67987521085057 ] - [ 0.00640511152343, 0.19418637664807 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.5000000, 0.8333333, 0.8333333 ] dynamical_matrix: - [ -0.0188209584, 0.0000000000, -0.7061700767, 0.0000000000, 0.0311383101, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.1595729225, 0.0345381027, 0.0333237574, -0.0094583808, 0.6592819235, -0.1936259627, 0.0914220057, 0.0593255862, 0.0000000000, -0.0000000000, -0.6806797865, -0.1574722830 ] - [ 0.6864810615, 0.0416308252, -0.0110664124, -0.0011931370, 0.1639608010, -0.0018955956, -0.6962574806, -0.0578620116, -0.0000000000, 0.0000000000, -0.1051694572, 0.0285813504 ] - [ 0.0048712225, -0.0181796498, 0.1827702649, -0.6821079148, -0.0080591877, 0.0300772979, 0.0000000000, 0.0000000000, 0.1830127019, -0.6830127019, 0.0000000000, 0.0000000000 ] - [ 0.0079392660, -0.1630747258, 0.0005112712, 0.0346362870, 0.0163936001, 0.6869315235, 0.0809658721, -0.0729522849, -0.0000000000, 0.0000000000, -0.3282794375, 0.6167293593 ] - [ -0.2178866620, 0.6523149361, 0.0040166802, -0.0103805269, -0.0406051732, 0.1588645884, -0.2360951076, 0.6575572917, -0.0000000000, 0.0000000000, 0.0003876061, 0.1089832926 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.01882095844884, 0.00000000000000 ] - [ -0.15957292246949, 0.03453810270276 ] - [ 0.68648106149665, 0.04163082518692 ] - # atom 2 - [ 0.00487122249363, -0.01817964984126 ] - [ 0.00793926602598, -0.16307472575090 ] - [ -0.21788666203461, 0.65231493613646 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.70617007665638, 0.00000000000000 ] - [ 0.03332375743978, -0.00945838076751 ] - [ -0.01106641235776, -0.00119313704085 ] - # atom 2 - [ 0.18277026491946, -0.68210791479512 ] - [ 0.00051127117846, 0.03463628701853 ] - [ 0.00401668016120, -0.01038052691114 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.03113831013696, 0.00000000000000 ] - [ 0.65928192352355, -0.19362596265655 ] - [ 0.16396080098438, -0.00189559562826 ] - # atom 2 - [ -0.00805918769572, 0.03007729794829 ] - [ 0.01639360007105, 0.68693152349874 ] - [ -0.04060517317132, 0.15886458842030 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.09142200574664, 0.05932558621470 ] - [ -0.69625748060947, -0.05786201155241 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08096587211315, -0.07295228486767 ] - [ -0.23609510759565, 0.65755729169019 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189150, -0.68301270189241 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.68067978651219, -0.15747228301913 ] - [ -0.10516945716995, 0.02858135044104 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.32827943745791, 0.61672935930428 ] - [ 0.00038760606266, 0.10898329264615 ] - q-position: [ 0.6666667, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.0339848409, 0.0000000000, 0.7008792681, 0.0000000000, 0.0872541235, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0080016895, 0.0298941966, 0.0867527817, 0.0034486961, -0.6999687794, -0.0393456377, -0.2943898119, -0.0092228251, 0.6416472429, 0.0392223646, 0.0000000000, 0.0000000000 ] - [ 0.6919222959, -0.1383144135, -0.0334972188, 0.0104042860, -0.0004282086, -0.0297012330, -0.6428145280, -0.0062498648, -0.2943050178, -0.0116180181, -0.0000000000, 0.0000000000 ] - [ 0.0064225312, -0.0333724513, 0.1324537316, -0.6882497784, 0.0164894794, -0.0856818484, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.1336306210, 0.6943650748 ] - [ 0.0308676955, -0.0022080310, 0.0197812871, -0.0845377982, -0.1709183146, 0.6799200696, 0.0646910795, -0.2873421063, -0.1597755285, 0.6226727541, 0.0000000000, -0.0000000000 ] - [ -0.0050610348, -0.7055931735, 0.0038864268, 0.0348598411, -0.0292469556, -0.0051925130, 0.1276177725, -0.6300502220, 0.0670270878, -0.2868061912, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.03398484089413, 0.00000000000000 ] - [ 0.00800168952563, 0.02989419663139 ] - [ 0.69192229591016, -0.13831441350892 ] - # atom 2 - [ 0.00642253123940, -0.03337245125966 ] - [ 0.03086769551878, -0.00220803099184 ] - [ -0.00506103480512, -0.70559317349915 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.70087926814853, 0.00000000000000 ] - [ 0.08675278174976, 0.00344869612098 ] - [ -0.03349721876802, 0.01040428604621 ] - # atom 2 - [ 0.13245373161396, -0.68824977842492 ] - [ 0.01978128708014, -0.08453779821896 ] - [ 0.00388642675743, 0.03485984108373 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.08725412350703, 0.00000000000000 ] - [ -0.69996877939082, -0.03934563767906 ] - [ -0.00042820855872, -0.02970123300819 ] - # atom 2 - [ 0.01648947940455, -0.08568184835744 ] - [ -0.17091831461164, 0.67992006960860 ] - [ -0.02924695563117, -0.00519251298362 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.29438981186156, -0.00922282505764 ] - [ -0.64281452796291, -0.00624986478993 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.06469107946700, -0.28734210632507 ] - [ 0.12761777254090, -0.63005022204723 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64164724287155, 0.03922236460747 ] - [ -0.29430501777036, -0.01161801812347 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.15977552845066, 0.62267275408386 ] - [ 0.06702708778890, -0.28680619123804 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.13363062095574, 0.69436507482950 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.0000000, 0.1666667 ] dynamical_matrix: - [ -0.0614494035, 0.0000000000, 0.6644049475, 0.0000000000, 0.2340727163, 0.0000000000, 0.1073801261, 0.0000000000, -0.6825287025, 0.0000000000, 0.1504130274, 0.0000000000 ] - [ 0.0749015645, 0.0149267845, -0.2274029839, 0.0034933984, 0.6651365717, -0.0059972353, 0.2980586528, 0.0216798936, -0.0928117545, 0.0062256448, -0.6339361936, 0.0127727738 ] - [ -0.6772769381, 0.1780080522, -0.0785112530, 0.0260332083, 0.0450501078, -0.0271629425, -0.6117935351, -0.1576997168, -0.1560524666, -0.0339030610, -0.2713582813, -0.0412597024 ] - [ -0.0159042759, 0.0593555658, 0.1719606541, -0.6417658979, 0.0605824769, -0.2260968819, -0.0277920217, 0.1037212370, 0.1766514270, -0.6592721009, -0.0389297561, 0.1452878278 ] - [ 0.0338041181, -0.0684860194, -0.0554818594, 0.2205585731, 0.1663571279, -0.6440247913, -0.0980844250, 0.2822913811, 0.0180079386, -0.0912605861, 0.1517372082, -0.6156411787 ] - [ -0.0033495955, 0.7002711602, 0.0048259407, 0.0825739371, -0.0145775618, -0.0505453495, 0.3106700478, -0.5501314858, 0.0731371926, -0.1419603499, 0.1100865034, -0.2514331753 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.06144940349069, 0.00000000000000 ] - [ 0.07490156448222, 0.01492678453208 ] - [ -0.67727693811913, 0.17800805218942 ] - # atom 2 - [ -0.01590427593352, 0.05935556584174 ] - [ 0.03380411807889, -0.06848601944382 ] - [ -0.00334959549605, 0.70027116016747 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.66440494753003, 0.00000000000000 ] - [ -0.22740298388547, 0.00349339838419 ] - [ -0.07851125303681, 0.02603320825266 ] - # atom 2 - [ 0.17196065408044, -0.64176589793367 ] - [ -0.05548185942166, 0.22055857314419 ] - [ 0.00482594065170, 0.08257393706348 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.23407271628334, 0.00000000000000 ] - [ 0.66513657168864, -0.00599723533315 ] - [ 0.04505010783167, -0.02716294252710 ] - # atom 2 - [ 0.06058247691277, -0.22609688188777 ] - [ 0.16635712785192, -0.64402479132579 ] - [ -0.01457756181423, -0.05054534947875 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.10738012612001, 0.00000000000000 ] - [ 0.29805865277847, 0.02167989357117 ] - [ -0.61179353506486, -0.15769971682259 ] - # atom 2 - [ -0.02779202170526, 0.10372123704952 ] - [ -0.09808442500796, 0.28229138111574 ] - [ 0.31067004782221, -0.55013148575520 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.68252870247242, 0.00000000000000 ] - [ -0.09281175445073, 0.00622564481392 ] - [ -0.15605246662381, -0.03390306098818 ] - # atom 2 - [ 0.17665142702828, -0.65927210090186 ] - [ 0.01800793855006, -0.09126058605307 ] - [ 0.07313719259606, -0.14196034989711 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.15041302741374, 0.00000000000000 ] - [ -0.63393619359626, 0.01277277376830 ] - [ -0.27135828132378, -0.04125970237630 ] - # atom 2 - [ -0.03892975612605, 0.14528782778930 ] - [ 0.15173720822571, -0.61564117872420 ] - [ 0.11008650336289, -0.25143317533792 ] - q-position: [ 0.6666667, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.0079408955, 0.0000000000, 0.2293803513, 0.0000000000, -0.6688210498, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1668412374, 0.1197063436, 0.6404663978, -0.0154826638, 0.2176748751, -0.0038886983, -0.2049316127, -0.0096095348, -0.6765977714, 0.0112315043, 0.0000000000, -0.0000000000 ] - [ 0.6179082587, -0.2756097219, 0.1888836305, 0.0356470054, 0.0721163583, 0.0089532688, -0.6765243807, 0.0150151002, 0.2044048077, -0.0175494618, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0079408955, 0.0000000000, -0.2293803513, -0.0000000000, 0.6688210498, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.1197063436, 0.1668412374, -0.0154826638, -0.6404663978, -0.0038886983, -0.2176748751, 0.0096095348, -0.2049316127, -0.0112315043, -0.6765977714, 0.0000000000, -0.0000000000 ] - [ -0.2756097219, -0.6179082587, 0.0356470054, -0.1888836305, 0.0089532688, -0.0721163583, -0.0150151002, -0.6765243807, 0.0175494618, 0.2044048077, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.00794089553789, 0.00000000000000 ] - [ -0.16684123737984, 0.11970634363579 ] - [ 0.61790825870587, -0.27560972189684 ] - # atom 2 - [ 0.00000000000000, -0.00794089553789 ] - [ 0.11970634363579, 0.16684123737984 ] - [ -0.27560972189684, -0.61790825870587 ] - # 2 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.22938035129723, 0.00000000000000 ] - [ 0.64046639778641, -0.01548266384872 ] - [ 0.18888363050216, 0.03564700539641 ] - # atom 2 - [ 0.00000000000000, -0.22938035129723 ] - [ -0.01548266384872, -0.64046639778641 ] - [ 0.03564700539641, -0.18888363050216 ] - # 3 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.66882104977103, 0.00000000000000 ] - [ 0.21767487511153, -0.00388869833492 ] - [ 0.07211635828414, 0.00895326875816 ] - # atom 2 - [ -0.00000000000000, 0.66882104977103 ] - [ -0.00388869833492, -0.21767487511153 ] - [ 0.00895326875816, -0.07211635828414 ] - # 4 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.20493161266378, -0.00960953477308 ] - [ -0.67652438074127, 0.01501510023630 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00960953477308, -0.20493161266378 ] - [ -0.01501510023630, -0.67652438074127 ] - # 5 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67659777141415, 0.01123150434599 ] - [ 0.20440480771630, -0.01754946181495 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01123150434599, -0.67659777141415 ] - [ 0.01754946181495, 0.20440480771630 ] - # 6 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.1403976499, 0.0345695123, -0.6915350794, -0.0295412019, 0.0000000000, 0.0000000000, 0.3944232397, -0.0334881255, 0.5856927223, -0.0165193375, 0.0000000000, 0.0000000000 ] - [ -0.6912547643, -0.0355006972, 0.1365328812, 0.0475954162, -0.0000000000, 0.0000000000, -0.5854581484, 0.0234010656, 0.3957880871, 0.0065526080, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.6830127019, 0.1830127019, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019 ] - [ 0.1445609642, 0.0029460010, 0.6603257673, 0.2075170588, -0.0000000000, -0.0000000000, 0.3896509584, 0.0697372010, 0.5700112459, 0.1356319764, 0.0000000000, 0.0000000000 ] - [ 0.6585125728, 0.2132009383, -0.1195620359, -0.0813109517, -0.0000000000, -0.0000000000, -0.5715657872, -0.1289240253, 0.3806059953, 0.1087668281, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14039764994059, 0.03456951229631 ] - [ -0.69125476432761, -0.03550069724858 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14456096419010, 0.00294600096311 ] - [ 0.65851257284694, 0.21320093834986 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69153507944275, -0.02954120191977 ] - [ 0.13653288117532, 0.04759541624161 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66032576734645, 0.20751705879054 ] - [ -0.11956203588195, -0.08131095169170 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.39442323971003, -0.03348812545872 ] - [ -0.58545814842602, 0.02340106560568 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.38965095837798, 0.06973720101361 ] - [ -0.57156578723045, -0.12892402529220 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.58569272226884, -0.01651933749335 ] - [ 0.39578808711004, 0.00655260802076 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.57001124586471, 0.13563197638340 ] - [ 0.38060599532621, 0.10876682808577 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.0000000, 0.6666667 ] dynamical_matrix: - [ -0.6989958318, 0.0000000000, -0.0652761966, 0.0000000000, -0.0845212716, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.0861887812, 0.0000000000, 0.0143712782, 0.0000000000, 0.7016872240, 0.0000000000, 0.1605471726, 0.0000000000, -0.6886396775, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0630580779, 0.0000000000, -0.7039406825, 0.0000000000, 0.0221629035, 0.0000000000, -0.6886396775, 0.0000000000, -0.1605471726, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6989958318, 0.0000000000, 0.0652761966, 0.0000000000, 0.0845212716, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0861887812, 0.0000000000, -0.0143712782, 0.0000000000, -0.7016872240, 0.0000000000, 0.1605471726, 0.0000000000, -0.6886396775, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0630580779, 0.0000000000, 0.7039406825, 0.0000000000, -0.0221629035, 0.0000000000, -0.6886396775, 0.0000000000, -0.1605471726, 0.0000000000, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.69899583175646, 0.00000000000000 ] - [ -0.08618878117847, 0.00000000000000 ] - [ 0.06305807788112, 0.00000000000000 ] - # atom 2 - [ 0.69899583175646, 0.00000000000000 ] - [ 0.08618878117847, 0.00000000000000 ] - [ -0.06305807788112, 0.00000000000000 ] - # 2 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.06527619659472, 0.00000000000000 ] - [ 0.01437127817538, 0.00000000000000 ] - [ -0.70394068253066, 0.00000000000000 ] - # atom 2 - [ 0.06527619659472, 0.00000000000000 ] - [ -0.01437127817538, 0.00000000000000 ] - [ 0.70394068253066, 0.00000000000000 ] - # 3 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.08452127155468, 0.00000000000000 ] - [ 0.70168722402690, 0.00000000000000 ] - [ 0.02216290351476, 0.00000000000000 ] - # atom 2 - [ 0.08452127155468, 0.00000000000000 ] - [ -0.70168722402690, 0.00000000000000 ] - [ -0.02216290351476, 0.00000000000000 ] - # 4 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.16054717256146, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16054717256146, 0.00000000000000 ] - [ -0.68863967746749, 0.00000000000000 ] - # 5 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - [ -0.16054717256146, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - [ -0.16054717256146, 0.00000000000000 ] - # 6 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.5066672373, 0.0000000000, -0.1432273701, 0.0000000000, 0.4719896514, 0.0000000000, -0.0000000000, 0.0000000000, -0.5822763503, 0.0000000000, 0.4011910416, 0.0000000000 ] - [ -0.4644371904, 0.0004782217, 0.0892625229, -0.0046475596, 0.5256470005, -0.0019236799, 0.1207469362, 0.0151353803, -0.3951994631, 0.0021271146, -0.5735803574, 0.0030872288 ] - [ 0.1653956813, -0.0151804729, 0.6824999706, -0.0754341614, 0.0295601884, -0.0065950351, -0.6906717647, -0.0903527042, -0.0690442727, 0.0000000000, -0.1002087359, 0.0000000000 ] - [ -0.5053663863, -0.0362836741, 0.1428596387, 0.0102568606, -0.4707778339, -0.0338003277, -0.0000000000, -0.0000000000, -0.5807813754, -0.0416982267, 0.4001609971, 0.0287302670 ] - [ 0.4632790102, 0.0327824837, -0.0893661674, -0.0017566794, -0.5244351790, -0.0357241202, 0.1193530411, 0.0237435027, -0.3943371296, -0.0261795421, -0.5723287932, -0.0379961830 ] - [ -0.1660581440, 0.0032971102, -0.6861496989, 0.0263650027, -0.0299565802, 0.0044612255, -0.6824281111, -0.1395814128, -0.0688670039, -0.0049444284, -0.0999514534, -0.0071761915 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.50666723732324, 0.00000000000000 ] - [ -0.46443719036481, 0.00047822171557 ] - [ 0.16539568125320, -0.01518047285370 ] - # atom 2 - [ -0.50536638627175, -0.03628367406135 ] - [ 0.46327901015628, 0.03278248371590 ] - [ -0.16605814402665, 0.00329711020403 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.14322737014151, 0.00000000000000 ] - [ 0.08926252289246, -0.00464755959883 ] - [ 0.68249997064161, -0.07543416144690 ] - # atom 2 - [ 0.14285963869703, 0.01025686058237 ] - [ -0.08936616742883, -0.00175667937754 ] - [ -0.68614969887814, 0.02636500272012 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.47198965143908, 0.00000000000000 ] - [ 0.52564700052626, -0.00192367991884 ] - [ 0.02956018842439, -0.00659503510582 ] - # atom 2 - [ -0.47077783392033, -0.03380032773309 ] - [ -0.52443517897369, -0.03572412016439 ] - [ -0.02995658015295, 0.00446122553478 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12074693624671, 0.01513538031815 ] - [ -0.69067176465293, -0.09035270422555 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.11935304113526, 0.02374350273459 ] - [ -0.68242811111806, -0.13958141282238 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.58227635034722, 0.00000000000000 ] - [ -0.39519946307308, 0.00212711464965 ] - [ -0.06904427272654, 0.00000000000000 ] - # atom 2 - [ -0.58078137544692, -0.04169822667289 ] - [ -0.39433712963161, -0.02617954208715 ] - [ -0.06886700388388, -0.00494442841942 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.40119104155791, 0.00000000000000 ] - [ -0.57358035743716, 0.00308722884279 ] - [ -0.10020873591661, 0.00000000000000 ] - # atom 2 - [ 0.40016099708333, 0.02873026696007 ] - [ -0.57232879317706, -0.03799618296828 ] - [ -0.09995145336530, -0.00717619148084 ] - q-position: [ 0.6666667, 0.1666667, 0.0000000 ] dynamical_matrix: - [ 0.5352927956, 0.0000000000, 0.4040741923, 0.0000000000, 0.2240215840, 0.0000000000, 0.0460436670, 0.0000000000, -0.6758489653, 0.0000000000, 0.2027514655, 0.0000000000 ] - [ -0.2400063093, 0.0029627147, -0.0497636361, -0.0022845686, 0.6632479189, -0.0029585749, 0.2533588079, 0.0265425170, -0.1736063705, 0.0054021264, -0.6362334011, 0.0119797245 ] - [ 0.3943173055, 0.0190703777, -0.5773742557, -0.0296879983, 0.0992173289, 0.0079810083, -0.6311942265, -0.1859533233, -0.1118413838, -0.0234803331, -0.2294700395, -0.0360401139 ] - [ 0.1385439702, -0.5170531359, 0.1045820966, -0.3903056980, 0.0579810524, -0.2163882336, -0.0119169779, 0.0444747671, 0.1749225838, -0.6528199703, -0.0524759407, 0.1958428769 ] - [ -0.0592564411, 0.2325950996, -0.0150865006, 0.0474766915, 0.1688034291, -0.6414140296, -0.0912121874, 0.2378561069, 0.0397145817, -0.1690890501, 0.1530977960, -0.6176548545 ] - [ 0.1204773988, -0.3759454922, -0.1781118578, 0.5500168857, 0.0333883963, -0.0937709434, 0.3429822044, -0.5615585432, 0.0516269403, -0.1019533237, 0.0942032933, -0.2123231696 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.53529279564773, 0.00000000000000 ] - [ -0.24000630931929, 0.00296271472750 ] - [ 0.39431730551578, 0.01907037773049 ] - # atom 2 - [ 0.13854397021926, -0.51705313594277 ] - [ -0.05925644112514, 0.23259509964057 ] - [ 0.12047739884756, -0.37594549219659 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.40407419225476, 0.00000000000000 ] - [ -0.04976363610101, -0.00228456860615 ] - [ -0.57737425573055, -0.02968799827450 ] - # atom 2 - [ 0.10458209658954, -0.39030569803588 ] - [ -0.01508650059505, 0.04747669145491 ] - [ -0.17811185779855, 0.55001688568034 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.22402158396301, 0.00000000000000 ] - [ 0.66324791888949, -0.00295857489839 ] - [ 0.09921732887516, 0.00798100826443 ] - # atom 2 - [ 0.05798105244343, -0.21638823359611 ] - [ 0.16880342912918, -0.64141402961808 ] - [ 0.03338839631944, -0.09377094343801 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.04604366697687, 0.00000000000000 ] - [ 0.25335880786336, 0.02654251701375 ] - [ -0.63119422649763, -0.18595332327230 ] - # atom 2 - [ -0.01191697791993, 0.04447476707002 ] - [ -0.09121218739755, 0.23785610692501 ] - [ 0.34298220440874, -0.56155854321600 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.67584896534880, 0.00000000000000 ] - [ -0.17360637052541, 0.00540212635880 ] - [ -0.11184138384278, -0.02348033306581 ] - # atom 2 - [ 0.17492258384442, -0.65281997030134 ] - [ 0.03971458167608, -0.16908905008455 ] - [ 0.05162694028716, -0.10195332371892 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.20275146551449, 0.00000000000000 ] - [ -0.63623340105157, 0.01197972448685 ] - [ -0.22947003945289, -0.03604011393968 ] - # atom 2 - [ -0.05247594069739, 0.19584287685846 ] - [ 0.15309779604818, -0.61765485447588 ] - [ 0.09420329332735, -0.21232316959196 ] - q-position: [ 0.6666667, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1387537029, 0.0410542445, 0.0000000000, 0.0000000000, -0.6599302917, -0.2086958770, 0.0801749589, -0.0097544583, 0.0000000000, 0.0000000000, -0.6761804730, -0.1904121700 ] - [ -0.6921203235, 0.0056050685, -0.0000000000, 0.0000000000, -0.1446918266, -0.0015219587, 0.7018913587, 0.0287288551, 0.0000000000, 0.0000000000, 0.0731943440, 0.0341432496 ] - [ 0.0000000000, 0.0000000000, -0.3535533906, 0.6123724357, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.3535533906, -0.6123724357, 0.0000000000, 0.0000000000 ] - [ 0.1049308701, -0.0996371093, 0.0000000000, -0.0000000000, -0.5107010770, 0.4671684588, -0.0316398707, 0.0743107803, -0.0000000000, 0.0000000000, 0.5029920129, -0.4903833821 ] - [ -0.3412060300, 0.6021963169, 0.0000000000, -0.0000000000, -0.0736639682, 0.1245458182, -0.3758255977, 0.5934913198, -0.0000000000, 0.0000000000, -0.0661660935, 0.0463165365 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.13875370288177, 0.04105424449504 ] - [ -0.69212032346444, 0.00560506851157 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10493087010671, -0.09963710931731 ] - [ -0.34120603001094, 0.60219631685167 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.35355339059295, 0.61237243569598 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.65993029168686, -0.20869587695887 ] - [ -0.14469182663900, -0.00152195871515 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.51070107695464, 0.46716845884853 ] - [ -0.07366396823027, 0.12454581823181 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08017495887092, -0.00975445830214 ] - [ 0.70189135868533, 0.02872885511362 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.03163987074561, 0.07431078028068 ] - [ -0.37582559769239, 0.59349131976166 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.35355339059295, -0.61237243569598 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67618047296544, -0.19041217002469 ] - [ 0.07319434401177, 0.03414324957306 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.50299201291357, -0.49038338211897 ] - [ -0.06616609350388, 0.04631653654104 ] - q-position: [ 0.6666667, 0.1666667, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.2193710887, -0.0444254769, 0.0000000000, 0.0000000000, 0.6567089522, 0.1365139354, 0.1117208820, -0.0002830867, 0.0000000000, 0.0000000000, 0.6982248130, 0.0006891082 ] - [ 0.6699922485, 0.0318290657, -0.0000000000, 0.0000000000, -0.2013234695, -0.0978067389, 0.6982251316, 0.0001729568, 0.0000000000, 0.0000000000, -0.1117204474, -0.0004210228 ] - [ -0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, -0.0000000000, 0.0000000000 ] - [ 0.1237052285, -0.1865323404, 0.0000000000, -0.0000000000, 0.5608932828, -0.3678334239, -0.0787984208, 0.0791987658, -0.0000000000, 0.0000000000, -0.4942067731, 0.4932322270 ] - [ 0.4962626104, -0.4512495141, 0.0000000000, -0.0000000000, -0.2115169988, 0.0731973822, -0.4938420243, 0.4935974264, -0.0000000000, 0.0000000000, 0.0792959940, -0.0787005778 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.21937108870376, -0.04442547686783 ] - [ 0.66999224847994, 0.03182906569130 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12370522846772, -0.18653234036959 ] - [ 0.49626261043103, -0.45124951405422 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.49999999999921, 0.50000000000079 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.65670895218711, 0.13651393541798 ] - [ -0.20132346950300, -0.09780673893593 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.56089328281735, -0.36783342389778 ] - [ -0.21151699884480, 0.07319738215057 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11172088204474, -0.00028308667964 ] - [ 0.69822513164667, 0.00017295682526 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.07879842078301, 0.07919876580494 ] - [ -0.49384202432545, 0.49359742643901 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.49999999999921, -0.50000000000079 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.69822481301300, 0.00068910815229 ] - [ -0.11172044737956, -0.00042102284081 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.49420677312088, 0.49323222702752 ] - [ 0.07929599404493, -0.07870057783363 ] - 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 ] - [ -0.1274948739, 0.0302112851, -0.0975749517, 0.0505749365, 0.7090343489, 0.0448161598, 0.0079601425, -0.0008897389, 0.0000000000, 0.0000000000, 0.6816973326, 0.0352141328 ] - [ 0.6236720419, -0.4206451431, 0.4154736859, -0.4606918227, 0.2069270004, -0.0502480010, 0.0248687602, -0.0510786703, 0.0000000000, 0.0000000000, 0.0176250803, -0.0188078215 ] - [ 0.0824979081, -0.0203539850, 0.1041129116, -0.0187119636, -0.6323663558, -0.2188784468, -0.0342852463, -0.0169766720, 0.0000000000, 0.0000000000, 0.6933865219, 0.2270388466 ] - [ 0.0789902782, 0.0346864799, -0.0425223960, 0.0372996011, 0.0315515969, 0.0207541867, -0.9286616796, -0.3537502343, 0.0000000000, 0.0000000000, -0.0192622085, -0.0029923215 ] - [ -0.5482883322, -0.3188107313, 0.7337893478, 0.2241207446, 0.0241248357, 0.0107205038, -0.0557501788, -0.0677115006, 0.0000000000, 0.0000000000, -0.0248639615, -0.0073908138 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.12749487386990, 0.03021128513245 ] - [ 0.62367204194906, -0.42064514308775 ] - # atom 2 - [ 0.08249790805378, -0.02035398498335 ] - [ 0.07899027824930, 0.03468647991784 ] - [ -0.54828833218171, -0.31881073128704 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.09757495171126, 0.05057493652181 ] - [ 0.41547368586182, -0.46069182274810 ] - # atom 2 - [ 0.10411291162139, -0.01871196356689 ] - [ -0.04252239595978, 0.03729960107230 ] - [ 0.73378934778254, 0.22412074455424 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70903434887940, 0.04481615983323 ] - [ 0.20692700040595, -0.05024800102384 ] - # atom 2 - [ -0.63236635576668, -0.21887844683150 ] - [ 0.03155159687118, 0.02075418666710 ] - [ 0.02412483573391, 0.01072050379176 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00796014249995, -0.00088973890038 ] - [ 0.02486876017387, -0.05107867027672 ] - # atom 2 - [ -0.03428524627817, -0.01697667201275 ] - [ -0.92866167963153, -0.35375023426591 ] - [ -0.05575017878043, -0.06771150055915 ] - # 5 frequency: 911.3759468011 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: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.68169733258476, 0.03521413284125 ] - [ 0.01762508029570, -0.01880782145981 ] - # atom 2 - [ 0.69338652189598, 0.22703884661056 ] - [ -0.01926220854529, -0.00299232151986 ] - [ -0.02486396145121, -0.00739081383529 ] - q-position: [ 0.6666667, 0.1666667, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.4045156031, 0.0351114730, 0.0000000000, 0.0000000000, -0.5695775859, 0.1035165925, -0.1938283723, -0.0097339482, -0.6799358564, 0.0048003639, 0.0000000000, 0.0000000000 ] - [ 0.5781045331, -0.0304870487, -0.0000000000, 0.0000000000, 0.3855454885, -0.1273591966, -0.6799281359, 0.0057915754, 0.1936532297, -0.0127520306, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, 0.0000000000, 0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, 0.1830127019 ] - [ -0.3998195861, 0.0707812636, -0.0000000000, 0.0000000000, 0.5233776347, -0.2474068770, -0.1897431619, 0.0407642023, -0.6555251783, 0.1806171445, 0.0000000000, -0.0000000000 ] - [ -0.5505154700, 0.1790726909, -0.0000000000, 0.0000000000, -0.3394453589, 0.2228060524, -0.6552611765, 0.1815725831, 0.1837541875, -0.0624386597, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.40451560309124, 0.03511147295882 ] - [ 0.57810453309528, -0.03048704867776 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.39981958606604, 0.07078126359138 ] - [ -0.55051546998465, 0.17907269091063 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.56957758594404, 0.10351659245042 ] - [ 0.38554548850876, -0.12735919663750 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.52337763472832, -0.24740687700341 ] - [ -0.33944535890099, 0.22280605242719 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.19382837232539, -0.00973394822979 ] - [ -0.67992813590001, 0.00579157535458 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.18974316188256, 0.04076420225222 ] - [ -0.65526117648340, 0.18157258308221 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.67993585641603, 0.00480036387678 ] - [ 0.19365322972070, -0.01275203063018 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.65552517833739, 0.18061714453307 ] - [ 0.18375418754066, -0.06243865972075 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.1004607650, 0.0000000000, -0.6353677711, 0.0000000000, -0.2936246415, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.5021927758, -0.0000000000, 0.1411968482, 0.0000000000, -0.4773529784, -0.0000000000, -0.0060393611, 0.0000000000, -0.7070809898, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.4875551770, -0.0000000000, -0.2763534792, -0.0000000000, 0.4311829124, 0.0000000000, -0.7070809898, -0.0000000000, 0.0060393611, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.1004607650, 0.0000000000, 0.6353677711, -0.0000000000, 0.2936246415, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, -0.0000000000 ] - [ 0.5021927758, -0.0000000000, -0.1411968482, -0.0000000000, 0.4773529784, -0.0000000000, -0.0060393611, 0.0000000000, -0.7070809898, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.4875551770, -0.0000000000, 0.2763534792, 0.0000000000, -0.4311829124, -0.0000000000, -0.7070809898, 0.0000000000, 0.0060393611, 0.0000000000, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.10046076497105, 0.00000000000000 ] - [ -0.50219277579762, -0.00000000000019 ] - [ -0.48755517701908, -0.00000000000054 ] - # atom 2 - [ -0.10046076497105, 0.00000000000016 ] - [ 0.50219277579762, -0.00000000000060 ] - [ 0.48755517701909, -0.00000000000023 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.63536777114046, 0.00000000000000 ] - [ 0.14119684820379, 0.00000000000030 ] - [ -0.27635347917716, -0.00000000000055 ] - # atom 2 - [ 0.63536777114046, -0.00000000000100 ] - [ -0.14119684820379, -0.00000000000007 ] - [ 0.27635347917716, 0.00000000000012 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.29362464150244, 0.00000000000000 ] - [ -0.47735297840696, -0.00000000000070 ] - [ 0.43118291235689, 0.00000000000101 ] - # atom 2 - [ 0.29362464150244, -0.00000000000046 ] - [ 0.47735297840696, -0.00000000000005 ] - [ -0.43118291235689, -0.00000000000034 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00603936107912, 0.00000000000001 ] - [ -0.70708098978671, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00603936107912, 0.00000000000002 ] - [ -0.70708098978671, 0.00000000000109 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70708098978671, -0.00000000000043 ] - [ 0.00603936107912, 0.00000000000001 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.70708098978671, 0.00000000000068 ] - [ 0.00603936107912, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000111 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.0079408955, 0.0000000000, 0.2293803513, 0.0000000000, -0.6688210498, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.1668412374, 0.1197063436, 0.6404663978, -0.0154826638, 0.2176748751, -0.0038886983, -0.2049316127, -0.0096095348, -0.6765977714, 0.0112315043, 0.0000000000, 0.0000000000 ] - [ 0.6179082587, -0.2756097219, 0.1888836305, 0.0356470054, 0.0721163583, 0.0089532688, -0.6765243807, 0.0150151002, 0.2044048077, -0.0175494618, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0079408955, 0.0000000000, -0.2293803513, -0.0000000000, 0.6688210498, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.1197063436, 0.1668412374, -0.0154826638, -0.6404663978, -0.0038886983, -0.2176748751, 0.0096095348, -0.2049316127, -0.0112315043, -0.6765977714, 0.0000000000, -0.0000000000 ] - [ -0.2756097219, -0.6179082587, 0.0356470054, -0.1888836305, 0.0089532688, -0.0721163583, -0.0150151002, -0.6765243807, 0.0175494618, 0.2044048077, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.00794089553789, 0.00000000000000 ] - [ -0.16684123737984, 0.11970634363579 ] - [ 0.61790825870587, -0.27560972189684 ] - # atom 2 - [ 0.00000000000000, -0.00794089553789 ] - [ 0.11970634363579, 0.16684123737984 ] - [ -0.27560972189684, -0.61790825870587 ] - # 2 frequency: 789.2747223274 eigenvector: - # atom 1 - [ 0.22938035129723, 0.00000000000000 ] - [ 0.64046639778641, -0.01548266384872 ] - [ 0.18888363050216, 0.03564700539641 ] - # atom 2 - [ 0.00000000000000, -0.22938035129723 ] - [ -0.01548266384872, -0.64046639778641 ] - [ 0.03564700539641, -0.18888363050216 ] - # 3 frequency: 789.2747223274 eigenvector: - # atom 1 - [ -0.66882104977103, 0.00000000000000 ] - [ 0.21767487511153, -0.00388869833492 ] - [ 0.07211635828414, 0.00895326875816 ] - # atom 2 - [ -0.00000000000000, 0.66882104977103 ] - [ -0.00388869833492, -0.21767487511153 ] - [ 0.00895326875816, -0.07211635828414 ] - # 4 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.20493161266378, -0.00960953477308 ] - [ -0.67652438074127, 0.01501510023630 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00960953477308, -0.20493161266378 ] - [ -0.01501510023630, -0.67652438074127 ] - # 5 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.67659777141415, 0.01123150434599 ] - [ 0.20440480771630, -0.01754946181495 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01123150434599, -0.67659777141415 ] - [ 0.01754946181495, 0.20440480771630 ] - # 6 frequency: 1018.9492850532 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.3333333, 0.1666667 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0997085590, -0.0596273507, 0.0000000000, 0.0000000000, 0.6884681226, 0.1118678973, 0.2116615539, -0.0174987927, 0.0000000000, 0.0000000000, 0.6708472930, 0.0696928139 ] - [ 0.6961880012, 0.0427205963, -0.0000000000, 0.0000000000, -0.0841033910, -0.0801488448, 0.6743729511, 0.0106911976, 0.0000000000, 0.0000000000, -0.2080715253, -0.0425800601 ] - [ -0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, -0.0000000000 ] - [ 0.0283416942, -0.1126675023, 0.0000000000, -0.0000000000, 0.5659230269, -0.4077179294, -0.1372938051, 0.1620408351, -0.0000000000, 0.0000000000, -0.5236409313, 0.4250804087 ] - [ 0.5224872799, -0.4620712333, 0.0000000000, -0.0000000000, -0.1161438697, 0.0027962864, -0.4844135051, 0.4692938684, -0.0000000000, 0.0000000000, 0.1772374357, -0.1170201373 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.09970855903006, -0.05962735071329 ] - [ 0.69618800115671, 0.04272059630301 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.02834169419877, -0.11266750226609 ] - [ 0.52248727994009, -0.46207123325725 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.49999999999921, 0.50000000000079 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.68846812262175, 0.11186789725721 ] - [ -0.08410339098270, -0.08014884479609 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.56592302688362, -0.40771792938985 ] - [ -0.11614386974423, 0.00279628642525 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.21166155390896, -0.01749879268221 ] - [ 0.67437295107799, 0.01069119758849 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.13729380511708, 0.16204083505389 ] - [ -0.48441350506912, 0.46929386844296 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.49999999999921, -0.50000000000079 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67084729301319, 0.06969281389347 ] - [ -0.20807152527846, -0.04258006008431 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.52364093133364, 0.42508040872704 ] - [ 0.17723743572499, -0.11702013726756 ] - q-position: [ 0.6666667, 0.3333333, 0.3333333 ] dynamical_matrix: - [ 0.0789137670, 0.0000000000, 0.0302717755, 0.0000000000, 0.7020372048, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5696423867, 0.0000000000, 0.4108827893, 0.0000000000, -0.0817489127, -0.0000000000, -0.2864572034, -0.0000000000, 0.0000000000, -0.0000000000, 0.6464845479, 0.0000000000 ] - [ 0.4114367128, -0.0000000000, -0.5746816102, 0.0000000000, -0.0214680762, -0.0000000000, -0.6464845479, 0.0000000000, -0.0000000000, 0.0000000000, -0.2864572034, 0.0000000000 ] - [ 0.0789137670, -0.0000000000, 0.0302717755, -0.0000000000, 0.7020372048, -0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.5696423867, -0.0000000000, 0.4108827893, -0.0000000000, -0.0817489127, 0.0000000000, 0.2864572034, -0.0000000000, 0.0000000000, -0.0000000000, -0.6464845479, 0.0000000000 ] - [ 0.4114367128, -0.0000000000, -0.5746816102, 0.0000000000, -0.0214680762, 0.0000000000, 0.6464845479, -0.0000000000, 0.0000000000, -0.0000000000, 0.2864572034, -0.0000000000 ] band: - # 1 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.07891376704126, 0.00000000000000 ] - [ 0.56964238672061, 0.00000000000196 ] - [ 0.41143671277927, -0.00000000000047 ] - # atom 2 - [ 0.07891376704126, -0.00000000000037 ] - [ 0.56964238672060, -0.00000000000072 ] - [ 0.41143671277927, -0.00000000000241 ] - # 2 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.03027177550980, 0.00000000000000 ] - [ 0.41088278927936, 0.00000000000032 ] - [ -0.57468161018210, 0.00000000000217 ] - # atom 2 - [ 0.03027177550980, -0.00000000000014 ] - [ 0.41088278927936, -0.00000000000161 ] - [ -0.57468161018210, 0.00000000000488 ] - # 3 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.70203720483949, 0.00000000000000 ] - [ -0.08174891268551, -0.00000000000023 ] - [ -0.02146807620386, -0.00000000000004 ] - # atom 2 - [ 0.70203720483949, -0.00000000000331 ] - [ -0.08174891268551, 0.00000000000015 ] - [ -0.02146807620386, 0.00000000000006 ] - # 4 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.28645720335067, -0.00000000000085 ] - [ -0.64648454788070, 0.00000000000011 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.28645720335067, -0.00000000000050 ] - [ 0.64648454788070, -0.00000000000315 ] - # 5 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.70710678118655, 0.00000000000333 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.64648454788070, 0.00000000000166 ] - [ -0.28645720335067, 0.00000000000016 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64648454788070, 0.00000000000139 ] - [ 0.28645720335067, -0.00000000000151 ] - q-position: [ 0.6666667, 0.3333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1473261288, 0.4496278413, -0.4967938952, -0.1712473116, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3372867487, 0.4623484506, -0.4116026755, -0.0552702167 ] - [ -0.4151571717, -0.3221402472, -0.4569648838, 0.1226918047, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.3044283482, -0.2824799819, -0.5713038958, 0.0337683186 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2137595909, 0.4221102003, -0.2301961969, -0.4723764674, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0884319775, -0.5654274719, 0.2519650980, 0.3301289880 ] - [ -0.0657728981, -0.5213480046, -0.4098791752, -0.2363667610, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0155198386, 0.4150068601, 0.4278506659, 0.3800950517 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14732612880343, 0.44962784134245 ] - [ -0.41515717170566, -0.32214024716400 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21375959090064, 0.42211020034638 ] - [ -0.06577289810852, -0.52134800463408 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.49679389522899, -0.17124731158395 ] - [ -0.45696488377956, 0.12269180466031 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23019619688752, -0.47237646744948 ] - [ -0.40987917515597, -0.23636676101333 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33728674873505, 0.46234845062128 ] - [ -0.30442834815155, -0.28247998190591 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08843197747049, -0.56542747194032 ] - [ 0.01551983860826, 0.41500686011850 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41160267550626, -0.05527021668068 ] - [ -0.57130389576802, 0.03376831864996 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25196509799244, 0.33012898801756 ] - [ 0.42785066592251, 0.38009505170921 ] - q-position: [ 0.6666667, 0.3333333, 0.6666667 ] dynamical_matrix: - [ -0.0210323013, 0.0000000000, 0.1188675348, 0.0000000000, 0.6967267409, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.2542056849, 0.1139157897, 0.6393434032, -0.0000000000, -0.1167512312, 0.0034388105, -0.0526141210, 0.0389385855, 0.7037618905, -0.0208504744, 0.0000000000, -0.0000000000 ] - [ 0.5942816980, -0.2622776551, 0.2776878138, 0.0000000000, -0.0294361518, -0.0079174551, 0.7014369167, -0.0608423590, 0.0567718950, 0.0325793049, -0.0000000000, 0.0000000000 ] - [ 0.0000000000, -0.0210323013, -0.0000000000, 0.1188675348, -0.0000000000, 0.6967267409, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812 ] - [ -0.1139157897, -0.2542056849, -0.0000000000, 0.6393434032, -0.0034388105, -0.1167512312, 0.0389385855, 0.0526141210, -0.0208504744, -0.7037618905, -0.0000000000, 0.0000000000 ] - [ 0.2622776551, 0.5942816980, -0.0000000000, 0.2776878138, 0.0079174551, -0.0294361518, -0.0608423590, -0.7014369167, 0.0325793049, -0.0567718950, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.02103230134352, 0.00000000000000 ] - [ -0.25420568485316, 0.11391578966562 ] - [ 0.59428169801007, -0.26227765509791 ] - # atom 2 - [ 0.00000000000010, -0.02103230134352 ] - [ -0.11391578966442, -0.25420568485370 ] - [ 0.26227765509511, 0.59428169801130 ] - # 2 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.11886753479366, 0.00000000000000 ] - [ 0.63934340322980, -0.00000000000197 ] - [ 0.27768781377406, 0.00000000000000 ] - # atom 2 - [ -0.00000000000056, 0.11886753479366 ] - [ -0.00000000000104, 0.63934340322980 ] - [ -0.00000000000131, 0.27768781377406 ] - # 3 frequency: 789.2747223281 eigenvector: - # atom 1 - [ 0.69672674089077, -0.00000000000000 ] - [ -0.11675123118080, 0.00343881047712 ] - [ -0.02943615180301, -0.00791745508524 ] - # atom 2 - [ -0.00000000000328, 0.69672674089077 ] - [ -0.00343881047657, -0.11675123118082 ] - [ 0.00791745508538, -0.02943615180297 ] - # 4 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05261412101831, 0.03893858551677 ] - [ 0.70143691674833, -0.06084235901100 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03893858551652, 0.05261412101850 ] - [ -0.06084235900769, -0.70143691674861 ] - # 5 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70376189051763, -0.02085047439461 ] - [ 0.05677189504591, 0.03257930486479 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02085047439129, -0.70376189051772 ] - [ 0.03257930486505, -0.05677189504576 ] - # 6 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.00000000000333, -0.70710678118655 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0189989425, -0.0121296976, 0.3700560822, -0.6021215880, 0.0000000000, 0.0000000000, 0.0262887772, 0.2005354499, 0.0000000000, 0.0000000000, -0.5528939517, -0.3916665823 ] - [ 0.7060228070, 0.0319954152, 0.0006345957, -0.0225319033, -0.0000000000, 0.0000000000, 0.6696640007, -0.1031724754, 0.0000000000, 0.0000000000, 0.1131663103, -0.1676274223 ] - [ 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, 0.0000000000, -0.5000000000, 0.5000000000, -0.0000000000, -0.0000000000 ] - [ 0.0220112725, -0.0048572897, 0.1640950928, 0.6874334231, -0.0000000000, 0.0000000000, 0.1603889491, 0.1232110039, 0.0000000000, -0.0000000000, -0.6679051588, 0.1140049662 ] - [ -0.5218576896, 0.4766093395, 0.0154837347, 0.0163811886, -0.0000000000, 0.0000000000, 0.4005699991, -0.5464779130, 0.0000000000, -0.0000000000, -0.0385098216, -0.1985511524 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01899894250263, -0.01212969759642 ] - [ 0.70602280701623, 0.03199541518601 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.02201127250316, -0.00485728965477 ] - [ -0.52185768955919, 0.47660933946781 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.37005608215787, -0.60212158795211 ] - [ 0.00063459572053, -0.02253190334326 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16409509282552, 0.68743342305316 ] - [ 0.01548373470974, 0.01638118858438 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000079, -0.49999999999921 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.02628877717279, 0.20053544994316 ] - [ 0.66966400070368, -0.10317247536235 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16038894913089, 0.12321100391538 ] - [ 0.40056999905443, -0.54647791297397 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000079, 0.49999999999921 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.55289395168179, -0.39166658231786 ] - [ 0.11316631032089, -0.16762742227184 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.66790515883251, 0.11400496618905 ] - [ -0.03850982157117, -0.19855115243107 ] - q-position: [ 0.6666667, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.3214982340, 0.0272475557, 0.0000000000, 0.0000000000, -0.6277536515, -0.0426826580, 0.4171735805, -0.0322462705, 0.0000000000, 0.0000000000, 0.5698322240, -0.0147518902 ] - [ -0.6287641197, -0.0234976168, -0.0000000000, 0.0000000000, 0.3168571463, 0.0608694713, -0.5695962604, 0.0220563348, 0.0000000000, 0.0000000000, 0.4183850029, 0.0052542927 ] - [ 0.0000000000, -0.0000000000, 0.6830127019, 0.1830127019, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000 ] - [ 0.3175956336, 0.0568907482, -0.0000000000, -0.0000000000, 0.5953163797, 0.2037028823, 0.4113046844, 0.0768249623, 0.0000000000, 0.0000000000, 0.5542337319, 0.1332342004 ] - [ 0.6012578711, 0.1854330840, -0.0000000000, -0.0000000000, -0.2903063225, -0.1408040584, -0.5558963380, -0.1261175768, 0.0000000000, 0.0000000000, 0.4027689686, 0.1133612639 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.32149823396361, 0.02724755569754 ] - [ -0.62876411973804, -0.02349761683312 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.31759563363876, 0.05689074816527 ] - [ 0.60125787114785, 0.18543308402100 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, 0.18301270189258 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.62775365150164, -0.04268265799061 ] - [ 0.31685714634887, 0.06086947133715 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.59531637974903, 0.20370288232938 ] - [ -0.29030632245518, -0.14080405844919 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.41717358054013, -0.03224627046083 ] - [ -0.56959626037750, 0.02205633479666 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.41130468441795, 0.07682496231800 ] - [ -0.55589633796676, -0.12611757679179 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, -0.18301270189258 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.56983222397181, -0.01475189018527 ] - [ 0.41838500291917, 0.00525429268601 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.55423373191724, 0.13323420036079 ] - [ 0.40276896863592, 0.11336126394526 ] - q-position: [ 0.6666667, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 1.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0933927923, 0.0706939572, -0.0354294020, 0.0237746932, 0.0000000000, 0.0000000000, -0.0838674892, 0.0849501172, -0.1494245624, 0.3154591410, 0.8123739274, 0.4340689192 ] - [ 0.4547394263, 0.1095678793, 0.8089895538, -0.2875979421, 0.0000000000, 0.0000000000, -0.0335581011, 0.0286327289, -0.1734341748, 0.0774069832, -0.0608489030, -0.0480670074 ] - [ -0.0474096022, 0.0000381099, 0.0276846726, -0.0282831489, 0.0000000000, 0.0000000000, -0.9537315767, -0.1607091672, 0.2410574645, 0.0304928714, -0.0234160807, -0.0341725687 ] - [ -0.0851064756, -0.0450974066, -0.1815237759, -0.0278477634, 0.0000000000, 0.0000000000, -0.2099757455, 0.0118946654, -0.8813453706, 0.0565906294, -0.0057131761, -0.3643633266 ] - [ -0.8691784399, 0.0221667370, 0.3961412222, -0.2622636503, 0.0000000000, 0.0000000000, 0.0566844671, 0.0304624377, 0.0002508611, 0.0554602155, 0.1053796151, -0.0023525551 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09339279228358, 0.07069395723538 ] - [ 0.45473942632527, 0.10956787932376 ] - # atom 2 - [ -0.04740960219771, 0.00003810990457 ] - [ -0.08510647563348, -0.04509740662385 ] - [ -0.86917843989811, 0.02216673702103 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03542940202317, 0.02377469323707 ] - [ 0.80898955380757, -0.28759794205332 ] - # atom 2 - [ 0.02768467257676, -0.02828314890045 ] - [ -0.18152377591097, -0.02784776336511 ] - [ 0.39614122224101, -0.26226365032017 ] - # 3 frequency: 911.3759468011 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 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08386748917013, 0.08495011723320 ] - [ -0.03355810111323, 0.02863272894515 ] - # atom 2 - [ -0.95373157672233, -0.16070916718239 ] - [ -0.20997574546782, 0.01189466542273 ] - [ 0.05668446711357, 0.03046243767709 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14942456240693, 0.31545914095283 ] - [ -0.17343417475315, 0.07740698316826 ] - # atom 2 - [ 0.24105746454538, 0.03049287143962 ] - [ -0.88134537063160, 0.05659062939462 ] - [ 0.00025086107285, 0.05546021548177 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.81237392741784, 0.43406891921275 ] - [ -0.06084890297273, -0.04806700736582 ] - # atom 2 - [ -0.02341608070357, -0.03417256865908 ] - [ -0.00571317613861, -0.36436332660508 ] - [ 0.10537961510201, -0.00235255509420 ] - q-position: [ 0.6666667, 0.5000000, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.1473261288, 0.4496278413, -0.4967938952, -0.1712473116, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3372867487, 0.4623484506, -0.4116026755, -0.0552702167 ] - [ -0.4151571717, -0.3221402472, -0.4569648838, 0.1226918047, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.3044283482, -0.2824799819, -0.5713038958, 0.0337683186 ] - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.2137595909, 0.4221102003, -0.2301961969, -0.4723764674, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0884319775, -0.5654274719, 0.2519650980, 0.3301289880 ] - [ -0.0657728981, -0.5213480046, -0.4098791752, -0.2363667610, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.0155198386, 0.4150068601, 0.4278506659, 0.3800950517 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14732612880343, 0.44962784134245 ] - [ -0.41515717170566, -0.32214024716400 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.21375959090064, 0.42211020034638 ] - [ -0.06577289810852, -0.52134800463408 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.49679389522899, -0.17124731158395 ] - [ -0.45696488377956, 0.12269180466031 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23019619688752, -0.47237646744948 ] - [ -0.40987917515597, -0.23636676101333 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.33728674873505, 0.46234845062128 ] - [ -0.30442834815155, -0.28247998190591 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08843197747049, -0.56542747194032 ] - [ 0.01551983860826, 0.41500686011850 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.41160267550626, -0.05527021668068 ] - [ -0.57130389576802, 0.03376831864996 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.25196509799244, 0.33012898801756 ] - [ 0.42785066592251, 0.38009505170921 ] - q-position: [ 0.6666667, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ 0.2009234630, -0.0508056346, 0.0000000000, 0.0000000000, -0.6450155183, 0.2024932855, 0.2126571720, -0.0422687924, 0.6564081408, -0.1487233308, 0.0000000000, 0.0000000000 ] - [ -0.6756173089, -0.0242858275, -0.0000000000, 0.0000000000, -0.2072033780, 0.0042673920, -0.6730078601, -0.0071201589, 0.2167894278, -0.0034738499, 0.0000000000, 0.0000000000 ] - [ 0.0000000000, 0.0000000000, -0.3535533906, -0.6123724357, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.3535533906, 0.6123724357 ] - [ 0.1444607017, 0.1486020059, 0.0000000000, 0.0000000000, -0.4978720885, -0.4573531819, -0.1429344340, -0.1630321170, -0.4570022530, -0.4941044597, -0.0000000000, -0.0000000000 ] - [ -0.3167765108, -0.5972446665, 0.0000000000, 0.0000000000, -0.1072973589, -0.1773096931, 0.3303376916, 0.5864019832, -0.1114031562, -0.1860082267, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.20092346302233, -0.05080563462254 ] - [ -0.67561730889509, -0.02428582753513 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14446070174960, 0.14860200588249 ] - [ -0.31677651084988, -0.59724466650736 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.35355339059295, -0.61237243569598 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.64501551826813, 0.20249328554549 ] - [ -0.20720337803120, 0.00426739203103 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.49787208851200, -0.45735318188290 ] - [ -0.10729735892229, -0.17730969310951 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.21265717200241, -0.04226879244462 ] - [ -0.67300786007183, -0.00712015889876 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14293443404545, -0.16303211702881 ] - [ 0.33033769155030, 0.58640198321836 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.65640814075086, -0.14872333084360 ] - [ 0.21678942775279, -0.00347384994018 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.45700225302117, -0.49410445971959 ] - [ -0.11140315617343, -0.18600822673577 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.35355339059295, 0.61237243569598 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.5000000, 0.6666667 ] dynamical_matrix: - [ 0.2517861403, 0.0000000000, 0.6581203026, 0.0000000000, 0.0590034472, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.2671972181, -0.0059005244, 0.1591472988, 0.0032773231, -0.6349037891, -0.0113756508, 0.0738609528, 0.4013009143, 0.5774312346, 0.0086778520, 0.0000000000, 0.0000000000 ] - [ -0.6042909030, 0.0026598035, 0.2038098036, -0.0007922229, 0.3054178238, -0.0025138132, -0.1130572536, -0.5663216341, 0.4080414981, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0651670484, 0.2432067356, 0.1703340683, 0.6356953971, 0.0152712159, 0.0569929535, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.1830127019, -0.6830127019 ] - [ -0.0634562599, -0.2596198618, 0.0380247009, 0.1545727198, -0.1533371575, -0.6162142022, 0.3685102960, -0.1752085213, -0.1410680394, -0.5600017358, 0.0000000000, 0.0000000000 ] - [ -0.1589711673, -0.5830117820, 0.0535150874, 0.1966601106, 0.0814761066, 0.2943603411, -0.5177633219, 0.2557797457, -0.1056089109, -0.3941378212, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.25178614033169, 0.00000000000000 ] - [ -0.26719721811264, -0.00590052441996 ] - [ -0.60429090298204, 0.00265980346307 ] - # atom 2 - [ 0.06516704841044, 0.24320673564809 ] - [ -0.06345625991980, -0.25961986178363 ] - [ -0.15897116733118, -0.58301178198958 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.65812030264500, 0.00000000000000 ] - [ 0.15914729881990, 0.00327732312013 ] - [ 0.20380980364240, -0.00079222294539 ] - # atom 2 - [ 0.17033406829250, 0.63569539713016 ] - [ 0.03802470086822, 0.15457271975477 ] - [ 0.05351508736418, 0.19666011060292 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.05900344721558, 0.00000000000000 ] - [ -0.63490378912386, -0.01137565084285 ] - [ 0.30541782378248, -0.00251381318254 ] - # atom 2 - [ 0.01527121586603, 0.05699295350563 ] - [ -0.15333715749241, -0.61621420221225 ] - [ 0.08147610658384, 0.29436034107312 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.07386095280479, 0.40130091429210 ] - [ -0.11305725360105, -0.56632163409787 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.36851029595304, -0.17520852130393 ] - [ -0.51776332194269, 0.25577974566013 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.57743123462709, 0.00867785204598 ] - [ 0.40804149808678, -0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14106803935004, -0.56000173581252 ] - [ -0.10560891089661, -0.39413782119982 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189150, -0.68301270189241 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.6666667, 0.5000000, 0.8333333 ] dynamical_matrix: - [ -0.0148090545, 0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0179605861, -0.1812121500, -0.6688254429, 0.0327572898, -0.1357617519, 0.0027942175, 0.1942578842, 0.0036398862, 0.6798752109, -0.0045081417, 0.0000000000, 0.0000000000 ] - [ -0.4365381067, 0.5254091238, -0.1506443094, -0.0949769588, -0.0399970945, -0.0081015946, 0.6798704886, -0.0051715050, -0.1941863766, 0.0064051115, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0148090545, -0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812 ] - [ 0.1812121500, 0.0179605861, -0.0327572898, -0.6688254429, -0.0027942175, -0.1357617519, 0.0036398862, -0.1942578842, -0.0045081417, -0.6798752109, 0.0000000000, 0.0000000000 ] - [ -0.5254091238, -0.4365381067, 0.0949769588, -0.1506443094, 0.0081015946, -0.0399970945, -0.0051715050, -0.6798704886, 0.0064051115, 0.1941863766, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.01480905452857, 0.00000000000000 ] - [ 0.01796058605244, -0.18121215002064 ] - [ -0.43653810665183, 0.52540912380577 ] - # atom 2 - [ 0.00000000000000, -0.01480905452857 ] - [ 0.18121215002064, 0.01796058605244 ] - [ -0.52540912380577, -0.43653810665183 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.14101473766073, 0.00000000000000 ] - [ -0.66882544290349, 0.03275728975493 ] - [ -0.15064430938648, -0.09497695881005 ] - # atom 2 - [ -0.00000000000000, -0.14101473766073 ] - [ -0.03275728975493, -0.66882544290349 ] - [ 0.09497695881005, -0.15064430938648 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.69274492828634, 0.00000000000000 ] - [ -0.13576175188505, 0.00279421751259 ] - [ -0.03999709454671, -0.00810159459420 ] - # atom 2 - [ 0.00000000000000, 0.69274492828634 ] - [ -0.00279421751259, -0.13576175188505 ] - [ 0.00810159459420, -0.03999709454671 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19425788415803, 0.00363988623126 ] - [ 0.67987048855418, -0.00517150498114 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00363988623126, -0.19425788415803 ] - [ -0.00517150498114, -0.67987048855418 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67987521085057, -0.00450814169741 ] - [ -0.19418637664807, 0.00640511152343 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00450814169741, -0.67987521085057 ] - [ 0.00640511152343, 0.19418637664807 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.6666667, 0.0000000 ] dynamical_matrix: - [ -0.6989958318, 0.0000000000, -0.0652761966, 0.0000000000, -0.0845212716, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.0861887812, 0.0000000000, 0.0143712782, 0.0000000000, 0.7016872240, 0.0000000000, 0.1605471726, 0.0000000000, -0.6886396775, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0630580779, 0.0000000000, -0.7039406825, 0.0000000000, 0.0221629035, 0.0000000000, -0.6886396775, 0.0000000000, -0.1605471726, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6989958318, 0.0000000000, 0.0652761966, 0.0000000000, 0.0845212716, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0861887812, 0.0000000000, -0.0143712782, 0.0000000000, -0.7016872240, 0.0000000000, 0.1605471726, 0.0000000000, -0.6886396775, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0630580779, 0.0000000000, 0.7039406825, 0.0000000000, -0.0221629035, 0.0000000000, -0.6886396775, 0.0000000000, -0.1605471726, 0.0000000000, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.69899583175646, 0.00000000000000 ] - [ -0.08618878117847, 0.00000000000000 ] - [ 0.06305807788112, 0.00000000000000 ] - # atom 2 - [ 0.69899583175646, 0.00000000000000 ] - [ 0.08618878117847, 0.00000000000000 ] - [ -0.06305807788112, 0.00000000000000 ] - # 2 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.06527619659472, 0.00000000000000 ] - [ 0.01437127817538, 0.00000000000000 ] - [ -0.70394068253066, 0.00000000000000 ] - # atom 2 - [ 0.06527619659472, 0.00000000000000 ] - [ -0.01437127817538, 0.00000000000000 ] - [ 0.70394068253066, 0.00000000000000 ] - # 3 frequency: 644.4401121928 eigenvector: - # atom 1 - [ -0.08452127155468, 0.00000000000000 ] - [ 0.70168722402690, 0.00000000000000 ] - [ 0.02216290351476, 0.00000000000000 ] - # atom 2 - [ 0.08452127155468, 0.00000000000000 ] - [ -0.70168722402690, 0.00000000000000 ] - [ -0.02216290351476, 0.00000000000000 ] - # 4 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.16054717256146, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16054717256146, 0.00000000000000 ] - [ -0.68863967746749, 0.00000000000000 ] - # 5 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - [ -0.16054717256146, 0.00000000000000 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68863967746748, 0.00000000000000 ] - [ -0.16054717256146, 0.00000000000000 ] - # 6 frequency: 1116.2030167547 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.6666667, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1524478241, 0.0152277162, 0.0000000000, 0.0000000000, -0.6892404502, -0.0384106684, 0.0350708789, -0.0435523586, 0.0000000000, 0.0000000000, -0.7016628365, -0.0673979920 ] - [ -0.6900144408, -0.0201952724, -0.0000000000, 0.0000000000, 0.1506065813, 0.0281048056, 0.7038980452, 0.0374268287, 0.0000000000, 0.0000000000, 0.0282226903, 0.0482727070 ] - [ 0.0000000000, -0.0000000000, 0.6830127019, -0.1830127019, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.6830127019, 0.1830127019, 0.0000000000, -0.0000000000 ] - [ 0.1433120675, -0.0541652447, -0.0000000000, 0.0000000000, 0.6756965638, -0.1412866985, 0.0226036878, -0.0511453593, 0.0000000000, -0.0000000000, -0.6951981391, 0.1165022442 ] - [ 0.6717296900, -0.1590817435, -0.0000000000, 0.0000000000, -0.1527488454, 0.0118326939, 0.6896000770, -0.1460306795, 0.0000000000, -0.0000000000, 0.0397549214, 0.0393232846 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15244782413571, 0.01522771623501 ] - [ -0.69001444082640, -0.02019527235736 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.14331206751919, -0.05416524465763 ] - [ 0.67172969001366, -0.15908174354307 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.68301270189212, -0.18301270189258 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.68924045015220, -0.03841066842091 ] - [ 0.15060658128270, 0.02810480563503 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67569656384749, -0.14128669852200 ] - [ -0.15274884542731, 0.01183269394811 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03507087891930, -0.04355235857797 ] - [ 0.70389804517975, 0.03742682869613 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.02260368783966, -0.05114535933908 ] - [ 0.68960007697778, -0.14603067946963 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.68301270189212, 0.18301270189258 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70166283654565, -0.06739799199406 ] - [ 0.02822269030234, 0.04827270696755 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.69519813909636, 0.11650224423195 ] - [ 0.03975492137226, 0.03932328461054 ] - q-position: [ 0.6666667, 0.6666667, 0.3333333 ] dynamical_matrix: - [ -0.0048800618, 0.0000000000, -0.1184553919, 0.0000000000, -0.6970971992, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0551379031, -0.2280120785, -0.6566812302, 0.0367777935, 0.1112016462, -0.0046533180, -0.3263107360, -0.0200869071, 0.0000000000, 0.0000000000, 0.6260247287, -0.0347973957 ] - [ -0.4115240640, 0.5249708882, -0.2149775842, -0.0846765270, 0.0394113143, 0.0107137151, -0.6262050186, 0.0313862148, -0.0000000000, -0.0000000000, -0.3223754062, 0.0543716628 ] - [ 0.0000000000, -0.0048800618, 0.0000000000, -0.1184553919, 0.0000000000, -0.6970971992, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.2280120785, 0.0551379031, -0.0367777935, -0.6566812302, 0.0046533180, 0.1112016462, -0.0200869071, 0.3263107360, -0.0000000000, 0.0000000000, -0.0347973957, -0.6260247287 ] - [ -0.5249708882, -0.4115240640, 0.0846765270, -0.2149775842, -0.0107137151, 0.0394113143, 0.0313862148, 0.6262050186, -0.0000000000, 0.0000000000, 0.0543716628, 0.3223754062 ] band: - # 1 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.00488006176717, 0.00000000000000 ] - [ 0.05513790308117, -0.22801207849967 ] - [ -0.41152406396069, 0.52497088822191 ] - # atom 2 - [ 0.00000000000002, -0.00488006176717 ] - [ 0.22801207849941, 0.05513790308225 ] - [ -0.52497088821997, -0.41152406396316 ] - # 2 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.11845539185948, 0.00000000000000 ] - [ -0.65668123022766, 0.03677779348265 ] - [ -0.21497758417114, -0.08467652695166 ] - # atom 2 - [ 0.00000000000056, -0.11845539185948 ] - [ -0.03677779347956, -0.65668123022783 ] - [ 0.08467652695267, -0.21497758417074 ] - # 3 frequency: 789.2747223281 eigenvector: - # atom 1 - [ -0.69709719920293, 0.00000000000000 ] - [ 0.11120164615389, -0.00465331795291 ] - [ 0.03941131431344, 0.01071371514533 ] - # atom 2 - [ 0.00000000000329, -0.69709719920293 ] - [ 0.00465331795239, 0.11120164615391 ] - [ -0.01071371514552, 0.03941131431338 ] - # 4 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.32631073597734, -0.02008690705022 ] - [ -0.62620501855997, 0.03138621483059 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02008690705176, 0.32631073597724 ] - [ 0.03138621482764, 0.62620501856012 ] - # 5 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ 0.00000000000333, -0.70710678118655 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850526 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.62602472874938, -0.03479739566911 ] - [ -0.32237540622423, 0.05437166275442 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03479739566616, -0.62602472874954 ] - [ 0.05437166275290, 0.32237540622449 ] - q-position: [ 0.6666667, 0.6666667, 0.5000000 ] dynamical_matrix: - [ -0.2714073423, 0.0000000000, -0.6196259205, 0.0000000000, 0.2059169084, 0.0000000000, 0.5709582231, 0.0000000000, -0.3828957078, 0.0000000000, -0.1655221571, 0.0000000000 ] - [ 0.1899733244, 0.0021893010, 0.1384107610, 0.0001526129, 0.6668857422, 0.0033448212, 0.3216908597, -0.0069515631, 0.2257767988, -0.0166214988, 0.5873719636, 0.0144708629 ] - [ -0.6245533256, 0.0132868760, 0.3112174765, -0.0070596669, 0.1132984043, -0.0037306160, -0.2573895040, 0.0649924405, -0.5362496211, 0.1207302106, 0.3526357159, -0.0550929933 ] - [ -0.0702453892, -0.2621593613, -0.1603709891, -0.5985126793, 0.0532952176, 0.1989004599, -0.1477748621, -0.5515032934, 0.0991007015, 0.3698488529, 0.0428402866, 0.1598821264 ] - [ 0.0470540120, 0.1840667732, 0.0356759283, 0.1337340278, 0.1693718818, 0.6450278650, -0.0899744154, -0.3089303125, -0.0744904704, -0.2137816805, -0.1380452706, -0.5711030842 ] - [ -0.1744804320, -0.5998332905, 0.0873681247, 0.2987858218, 0.0329272832, 0.1084723003, 0.1293951824, 0.2317978880, 0.2554080433, 0.4867300805, -0.1444845843, -0.3263608293 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.27140734226342, 0.00000000000000 ] - [ 0.18997332442505, 0.00218930100508 ] - [ -0.62455332555397, 0.01328687596784 ] - # atom 2 - [ -0.07024538915816, -0.26215936133679 ] - [ 0.04705401204013, 0.18406677316378 ] - [ -0.17448043198289, -0.59983329049710 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.61962592054449, 0.00000000000000 ] - [ 0.13841076097415, 0.00015261285766 ] - [ 0.31121747645046, -0.00705966692420 ] - # atom 2 - [ -0.16037098907547, -0.59851267929222 ] - [ 0.03567592828647, 0.13373402777538 ] - [ 0.08736812468090, 0.29878582184403 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.20591690837546, 0.00000000000000 ] - [ 0.66688574215882, 0.00334482124391 ] - [ 0.11329840433611, -0.00373061604943 ] - # atom 2 - [ 0.05329521759599, 0.19890045986951 ] - [ 0.16937188175355, 0.64502786497572 ] - [ 0.03292728321191, 0.10847230034207 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.57095822305513, 0.00000000000000 ] - [ 0.32169085967270, -0.00695156307360 ] - [ -0.25738950401624, 0.06499244049791 ] - # atom 2 - [ -0.14777486208398, -0.55150329338122 ] - [ -0.08997441542424, -0.30893031252241 ] - [ 0.12939518243914, 0.23179788795660 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.38289570777601, 0.00000000000000 ] - [ 0.22577679880296, -0.01662149876964 ] - [ -0.53624962109246, 0.12073021057650 ] - # atom 2 - [ 0.09910070146005, 0.36984885291618 ] - [ -0.07449047040549, -0.21378168050099 ] - [ 0.25540804327639, 0.48673008053476 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.16552215710424, 0.00000000000000 ] - [ 0.58737196358262, 0.01447086285996 ] - [ 0.35263571589333, -0.05509299328541 ] - # atom 2 - [ 0.04284028664486, 0.15988212637010 ] - [ -0.13804527056872, -0.57110308416994 ] - [ -0.14448458431816, -0.32636082933949 ] - q-position: [ 0.6666667, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.0178196099, 0.0000000000, 0.6547270305, 0.0000000000, 0.2664863543, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.0635702619, -0.0374120527, 0.2661483156, -0.0145962438, -0.6496456434, 0.0383630282, -0.2233091162, -0.0134299344, 0.6674913514, -0.0663925545, 0.0000000000, 0.0000000000 ] - [ 0.6752362489, 0.1956978022, 0.0107394490, -0.0130078255, -0.0715378248, 0.0188726979, -0.6700354598, 0.0317042282, -0.2189601789, 0.0458668132, -0.0000000000, -0.0000000000 ] - [ 0.0033675897, 0.0174985095, 0.1237317785, 0.6429291808, 0.0503611872, 0.2616844050, -0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.1336306210, -0.6943650748 ] - [ 0.0247242562, -0.0694949714, 0.0646305307, 0.2585940268, -0.1604432324, -0.6306894268, 0.0290135224, 0.2218232180, -0.1913402027, -0.6429164816, 0.0000000000, 0.0000000000 ] - [ -0.0645637704, 0.7000522417, 0.0148029961, 0.0080876816, -0.0320519995, -0.0666821447, 0.1577577338, 0.6519702239, 0.0864199007, 0.2063466144, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.01781960988771, 0.00000000000000 ] - [ -0.06357026192922, -0.03741205270847 ] - [ 0.67523624890053, 0.19569780219660 ] - # atom 2 - [ 0.00336758973021, 0.01749850953536 ] - [ 0.02472425617695, -0.06949497137280 ] - [ -0.06456377035050, 0.70005224174483 ] - # 2 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.65472703052263, 0.00000000000000 ] - [ 0.26614831557278, -0.01459624375607 ] - [ 0.01073944903424, -0.01300782546958 ] - # atom 2 - [ 0.12373177852776, 0.64292918076514 ] - [ 0.06463053074889, 0.25859402682415 ] - [ 0.01480299613469, 0.00808768164818 ] - # 3 frequency: 530.2940797720 eigenvector: - # atom 1 - [ 0.26648635425941, 0.00000000000000 ] - [ -0.64964564338257, 0.03836302817069 ] - [ -0.07153782476428, 0.01887269787680 ] - # atom 2 - [ 0.05036118722573, 0.26168440501430 ] - [ -0.16044323243861, -0.63068942678709 ] - [ -0.03205199953040, -0.06668214471099 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22330911618880, -0.01342993444275 ] - [ -0.67003545980854, 0.03170422821951 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.02901352238861, 0.22182321797045 ] - [ 0.15775773380287, 0.65197022394678 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66749135139985, -0.06639255450906 ] - [ -0.21896017894355, 0.04586681315692 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.19134020271015, -0.64291648160136 ] - [ 0.08641990071734, 0.20634661439473 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.13363062095574, -0.69436507482950 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.6666667, 0.8333333 ] dynamical_matrix: - [ -0.0462904024, 0.0000000000, -0.5441802237, 0.0000000000, -0.4491381555, 0.0000000000, -0.7008436603, 0.0000000000, 0.0368355505, 0.0000000000, 0.0863788521, 0.0000000000 ] - [ 0.0229293170, -0.0858054889, -0.4467091506, -0.0251442921, 0.5388740084, 0.0393086111, 0.0095004226, -0.0057237358, -0.6159727543, 0.0352244944, 0.3397591630, -0.0614613125 ] - [ -0.5742455820, 0.4002635065, -0.0117362092, -0.0595721819, 0.0734043004, 0.0309251046, -0.0929978403, 0.0068224913, -0.3433609031, -0.0091232332, -0.6081240677, 0.0592455092 ] - [ -0.0033149684, -0.0461715534, -0.0389700703, -0.5427830593, -0.0321638765, -0.4479850084, 0.0501891203, 0.6990442678, -0.0026378834, -0.0367409765, -0.0061857998, -0.0861570773 ] - [ 0.0872272104, 0.0167257069, -0.0069101946, -0.4473628839, -0.0006176083, 0.5403054529, -0.0063893887, -0.0090661400, 0.0792453648, 0.6118687532, -0.0856344933, -0.3344854486 ] - [ -0.4403589672, -0.5441073820, 0.0585787738, -0.0159721859, -0.0255890449, 0.0754304593, 0.0134647765, 0.0922704962, 0.0154891004, 0.3431326725, 0.1026426430, 0.6023200146 ] band: - # 1 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.04629040244833, 0.00000000000000 ] - [ 0.02292931704313, -0.08580548891892 ] - [ -0.57424558204591, 0.40026350649697 ] - # atom 2 - [ -0.00331496838732, -0.04617155340054 ] - [ 0.08722721042073, 0.01672570688782 ] - [ -0.44035896724619, -0.54410738195540 ] - # 2 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.54418022372873, 0.00000000000000 ] - [ -0.44670915058748, -0.02514429207601 ] - [ -0.01173620924378, -0.05957218186820 ] - # atom 2 - [ -0.03897007032249, -0.54278305934923 ] - [ -0.00691019458249, -0.44736288385764 ] - [ 0.05857877379034, -0.01597218586080 ] - # 3 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.44913815551979, 0.00000000000000 ] - [ 0.53887400840945, 0.03930861113619 ] - [ 0.07340430035593, 0.03092510463702 ] - # atom 2 - [ -0.03216387649149, -0.44798500844644 ] - [ -0.00061760827376, 0.54030545287712 ] - [ -0.02558904486333, 0.07543045930217 ] - # 4 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.70084366026629, 0.00000000000000 ] - [ 0.00950042264005, -0.00572373584309 ] - [ -0.09299784027011, 0.00682249128227 ] - # atom 2 - [ 0.05018912032214, 0.69904426779478 ] - [ -0.00638938873297, -0.00906613997025 ] - [ 0.01346477645868, 0.09227049624403 ] - # 5 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.03683555050542, 0.00000000000000 ] - [ -0.61597275429500, 0.03522449436411 ] - [ -0.34336090313067, -0.00912323315937 ] - # atom 2 - [ -0.00263788342716, -0.03674097647127 ] - [ 0.07924536483725, 0.61186875323780 ] - [ 0.01548910042677, 0.34313267251889 ] - # 6 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.08637885206175, 0.00000000000000 ] - [ 0.33975916300612, -0.06146131249871 ] - [ -0.60812406774470, 0.05924550924293 ] - # atom 2 - [ -0.00618579983697, -0.08615707727101 ] - [ -0.08563449326662, -0.33448544862767 ] - [ 0.10264264302305, 0.60232001458448 ] - q-position: [ 0.6666667, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.6964823363, -0.0000000000, 0.0903813807, 0.0000000000, 0.0821191896, 0.0000000000, 0.0055656454, 0.0000000000, 0.3198011836, 0.0000000000, -0.6306316092, 0.0000000000 ] - [ -0.0555059111, 0.0003915001, -0.1892388823, -0.0008029544, 0.6790441839, -0.0024367112, -0.0742683641, -0.0120374354, 0.6273297146, -0.0025888591, 0.3174712954, -0.0014190794 ] - [ -0.1087005190, 0.0039361179, 0.6748882459, -0.0233465672, 0.1791379088, -0.0076881132, 0.6994573015, 0.0711886030, 0.0644794794, -0.0045085056, 0.0388714184, -0.0016580439 ] - [ -0.6946941413, -0.0498767953, -0.0901493296, -0.0064724307, -0.0819083514, -0.0058807550, 0.0055513558, 0.0003985694, 0.3189801049, 0.0229017411, -0.6290124838, -0.0451610645 ] - [ 0.0553914378, 0.0035844185, 0.1886955163, 0.0143527498, -0.6774752597, -0.0461975518, -0.0732156525, -0.0173250680, 0.6259044612, 0.0423423954, 0.3167578223, 0.0213194562 ] - [ 0.1087033090, 0.0038582967, -0.6748273976, -0.0250437643, -0.1792285427, -0.0051601274, 0.6925634793, 0.1210956685, 0.0646367956, 0.0001206023, 0.0388903539, 0.0011298899 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.69648233625314, -0.00000000000000 ] - [ -0.05550591108538, 0.00039150005354 ] - [ -0.10870051897501, 0.00393611791280 ] - # atom 2 - [ -0.69469414133404, -0.04987679529390 ] - [ 0.05539143780156, 0.00358441850042 ] - [ 0.10870330904097, 0.00385829667137 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.09038138073589, 0.00000000000000 ] - [ -0.18923888227864, -0.00080295439415 ] - [ 0.67488824594626, -0.02334656715709 ] - # atom 2 - [ -0.09014932958771, -0.00647243065717 ] - [ 0.18869551630935, 0.01435274979148 ] - [ -0.67482739762428, -0.02504376429539 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.08211918961878, 0.00000000000000 ] - [ 0.67904418390796, -0.00243671115178 ] - [ 0.17913790875056, -0.00768811318656 ] - # atom 2 - [ -0.08190835136777, -0.00588075504162 ] - [ -0.67747525967353, -0.04619755178303 ] - [ -0.17922854270647, -0.00516012744106 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00556564541497, 0.00000000000000 ] - [ -0.07426836411601, -0.01203743537188 ] - [ 0.69945730150895, 0.07118860300732 ] - # atom 2 - [ 0.00555135580799, 0.00039856941460 ] - [ -0.07321565254947, -0.01732506798129 ] - [ 0.69256347933685, 0.12109566846569 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.31980118364422, 0.00000000000000 ] - [ 0.62732971463262, -0.00258885912275 ] - [ 0.06447947940493, -0.00450850560919 ] - # atom 2 - [ 0.31898010488608, 0.02290174113701 ] - [ 0.62590446124122, 0.04234239543223 ] - [ 0.06463679557533, 0.00012060228621 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63063160920689, 0.00000000000000 ] - [ 0.31747129539902, -0.00141907937323 ] - [ 0.03887141843143, -0.00165804392469 ] - # atom 2 - [ -0.62901248380958, -0.04516106445353 ] - [ 0.31675782227828, 0.02131945623419 ] - [ 0.03889035393603, 0.00112988993169 ] - q-position: [ 0.6666667, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.1004607650, 0.0000000000, -0.6353677711, 0.0000000000, -0.2936246415, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ -0.5021927758, -0.0000000000, 0.1411968482, 0.0000000000, -0.4773529784, -0.0000000000, -0.0060393611, 0.0000000000, -0.7070809898, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.4875551770, -0.0000000000, -0.2763534792, -0.0000000000, 0.4311829124, 0.0000000000, -0.7070809898, -0.0000000000, 0.0060393611, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.1004607650, 0.0000000000, 0.6353677711, -0.0000000000, 0.2936246415, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, -0.0000000000 ] - [ 0.5021927758, -0.0000000000, -0.1411968482, -0.0000000000, 0.4773529784, -0.0000000000, -0.0060393611, 0.0000000000, -0.7070809898, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.4875551770, -0.0000000000, 0.2763534792, 0.0000000000, -0.4311829124, -0.0000000000, -0.7070809898, 0.0000000000, 0.0060393611, 0.0000000000, -0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.10046076497105, 0.00000000000000 ] - [ -0.50219277579762, -0.00000000000019 ] - [ -0.48755517701908, -0.00000000000054 ] - # atom 2 - [ -0.10046076497105, 0.00000000000016 ] - [ 0.50219277579762, -0.00000000000060 ] - [ 0.48755517701909, -0.00000000000023 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.63536777114046, 0.00000000000000 ] - [ 0.14119684820379, 0.00000000000030 ] - [ -0.27635347917716, -0.00000000000055 ] - # atom 2 - [ 0.63536777114046, -0.00000000000100 ] - [ -0.14119684820379, -0.00000000000007 ] - [ 0.27635347917716, 0.00000000000012 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.29362464150244, 0.00000000000000 ] - [ -0.47735297840696, -0.00000000000070 ] - [ 0.43118291235689, 0.00000000000101 ] - # atom 2 - [ 0.29362464150244, -0.00000000000046 ] - [ 0.47735297840696, -0.00000000000005 ] - [ -0.43118291235689, -0.00000000000034 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00603936107912, 0.00000000000001 ] - [ -0.70708098978671, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00603936107912, 0.00000000000002 ] - [ -0.70708098978671, 0.00000000000109 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70708098978671, -0.00000000000043 ] - [ 0.00603936107912, 0.00000000000001 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.70708098978671, 0.00000000000068 ] - [ 0.00603936107912, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000111 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0119198905, -0.1620760969, 0.4229859323, -0.5428371359, 0.0000000000, 0.0000000000, 0.1681711664, -0.3654728857, 0.0000000000, 0.0000000000, 0.2737911903, 0.5130169712 ] - [ 0.6756446241, 0.1307424835, -0.0976122822, -0.1299330110, -0.0000000000, 0.0000000000, 0.4665775314, 0.3470640226, 0.0000000000, 0.0000000000, 0.3864242067, -0.1119299059 ] - [ -0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, -0.0000000000, -0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000 ] - [ 0.1230337426, 0.1061764718, 0.0847475988, 0.6829400409, -0.0000000000, 0.0000000000, -0.1395133837, -0.3773433280, 0.0000000000, -0.0000000000, 0.5563573865, 0.1691581719 ] - [ -0.5702017920, 0.3853039987, 0.1608988198, 0.0228542065, -0.0000000000, 0.0000000000, 0.5753314603, -0.0845088125, 0.0000000000, -0.0000000000, 0.1940967815, -0.3523895725 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01191989045819, -0.16207609692165 ] - [ 0.67564462406632, 0.13074248348717 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.12303374257537, 0.10617647182775 ] - [ -0.57020179201308, 0.38530399868568 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.42298593232329, -0.54283713586554 ] - [ -0.09761228221932, -0.12993301097807 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.08474759875702, 0.68294004094285 ] - [ 0.16089881984692, 0.02285420647846 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000079, -0.49999999999921 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16817116635802, -0.36547288572548 ] - [ 0.46657753142144, 0.34706402259230 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.13951338370391, -0.37734332796833 ] - [ 0.57533146029841, -0.08450881253558 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000079, 0.49999999999921 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.27379119031881, 0.51301697117063 ] - [ 0.38642420674086, -0.11192990592073 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.55635738648184, 0.16915817187584 ] - [ 0.19409678150752, -0.35238957249491 ] - q-position: [ 0.6666667, 0.8333333, 0.5000000 ] dynamical_matrix: - [ -0.0148090545, 0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0179605861, -0.1812121500, -0.6688254429, 0.0327572898, -0.1357617519, 0.0027942175, 0.1942578842, 0.0036398862, 0.6798752109, -0.0045081417, 0.0000000000, 0.0000000000 ] - [ -0.4365381067, 0.5254091238, -0.1506443094, -0.0949769588, -0.0399970945, -0.0081015946, 0.6798704886, -0.0051715050, -0.1941863766, 0.0064051115, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0148090545, -0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812 ] - [ 0.1812121500, 0.0179605861, -0.0327572898, -0.6688254429, -0.0027942175, -0.1357617519, 0.0036398862, -0.1942578842, -0.0045081417, -0.6798752109, 0.0000000000, 0.0000000000 ] - [ -0.5254091238, -0.4365381067, 0.0949769588, -0.1506443094, 0.0081015946, -0.0399970945, -0.0051715050, -0.6798704886, 0.0064051115, 0.1941863766, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.01480905452857, 0.00000000000000 ] - [ 0.01796058605244, -0.18121215002064 ] - [ -0.43653810665183, 0.52540912380577 ] - # atom 2 - [ 0.00000000000000, -0.01480905452857 ] - [ 0.18121215002064, 0.01796058605244 ] - [ -0.52540912380577, -0.43653810665183 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.14101473766073, 0.00000000000000 ] - [ -0.66882544290349, 0.03275728975493 ] - [ -0.15064430938648, -0.09497695881005 ] - # atom 2 - [ -0.00000000000000, -0.14101473766073 ] - [ -0.03275728975493, -0.66882544290349 ] - [ 0.09497695881005, -0.15064430938648 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.69274492828634, 0.00000000000000 ] - [ -0.13576175188505, 0.00279421751259 ] - [ -0.03999709454671, -0.00810159459420 ] - # atom 2 - [ 0.00000000000000, 0.69274492828634 ] - [ -0.00279421751259, -0.13576175188505 ] - [ 0.00810159459420, -0.03999709454671 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19425788415803, 0.00363988623126 ] - [ 0.67987048855418, -0.00517150498114 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00363988623126, -0.19425788415803 ] - [ -0.00517150498114, -0.67987048855418 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67987521085057, -0.00450814169741 ] - [ -0.19418637664807, 0.00640511152343 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00450814169741, -0.67987521085057 ] - [ 0.00640511152343, 0.19418637664807 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.6666667, 0.8333333, 0.6666667 ] dynamical_matrix: - [ 0.6887663062, -0.0000000000, -0.0003972288, 0.0000000000, 0.1600025551, 0.0000000000, 0.0192193026, 0.0000000000, -0.6858404728, 0.0000000000, -0.1710364415, 0.0000000000 ] - [ 0.1560446944, 0.0133511561, 0.1456707602, 0.0147994983, -0.6713671730, -0.0574362557, -0.2167755326, -0.0676383212, -0.1677470446, -0.0010442973, 0.6482913050, -0.0034129569 ] - [ 0.0327532436, -0.0000215785, -0.6916985817, -0.0106732737, -0.1427108037, 0.0000663914, 0.6618612706, 0.1000185127, -0.0368301180, 0.0112350686, 0.2220585116, -0.0338125526 ] - [ 0.0493242316, 0.6869979219, -0.0000284465, -0.0003962090, 0.0114581724, 0.1595917540, -0.0013763410, -0.0191699577, 0.0491147055, 0.6840796005, 0.0122483359, 0.1705973112 ] - [ -0.0021421371, 0.1566001636, -0.0043296634, 0.1463565836, 0.0092105527, -0.6737566105, -0.0519408386, 0.2210627136, 0.0109711580, 0.1673911444, -0.0498299125, -0.6463824288 ] - [ 0.0023670626, 0.0326676055, -0.0388883486, -0.6906870080, -0.0102860890, -0.1423396441, 0.0523642220, -0.6673245332, 0.0138437173, 0.0359309873, -0.0496278905, -0.2190669846 ] band: - # 1 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.68876630620405, -0.00000000000000 ] - [ 0.15604469435811, 0.01335115608500 ] - [ 0.03275324359934, -0.00002157848038 ] - # atom 2 - [ 0.04932423160220, 0.68699792193195 ] - [ -0.00214213707564, 0.15660016364893 ] - [ 0.00236706257190, 0.03266760546305 ] - # 2 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.00039722883883, 0.00000000000000 ] - [ 0.14567076023581, 0.01479949833275 ] - [ -0.69169858168111, -0.01067327367815 ] - # atom 2 - [ -0.00002844652398, -0.00039620896717 ] - [ -0.00432966342551, 0.14635658356631 ] - [ -0.03888834857831, -0.69068700799676 ] - # 3 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.16000255512735, 0.00000000000000 ] - [ -0.67136717300132, -0.05743625572333 ] - [ -0.14271080368914, 0.00006639142799 ] - # atom 2 - [ 0.01145817240907, 0.15959175396093 ] - [ 0.00921055274787, -0.67375661048585 ] - [ -0.01028608897176, -0.14233964405986 ] - # 4 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.01921930261524, 0.00000000000000 ] - [ -0.21677553261870, -0.06763832123551 ] - [ 0.66186127057062, 0.10001851270615 ] - # atom 2 - [ -0.00137634103888, -0.01916995770367 ] - [ -0.05194083861673, 0.22106271355765 ] - [ 0.05236422203123, -0.66732453320432 ] - # 5 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.68584047277385, 0.00000000000000 ] - [ -0.16774704464710, -0.00104429730835 ] - [ -0.03683011804080, 0.01123506856848 ] - # atom 2 - [ 0.04911470554897, 0.68407960048045 ] - [ 0.01097115804298, 0.16739114443691 ] - [ 0.01384371730383, 0.03593098734866 ] - # 6 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.17103644147469, 0.00000000000000 ] - [ 0.64829130500012, -0.00341295690850 ] - [ 0.22205851156837, -0.03381255261140 ] - # atom 2 - [ 0.01224833586621, 0.17059731117704 ] - [ -0.04982991250901, -0.64638242877801 ] - [ -0.04962789051264, -0.21906698463558 ] - q-position: [ 0.6666667, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.1146915591, -0.0000000000, 0.0505226271, 0.0000000000, -0.6959118554, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3334372847, 0.0512517352, -0.6121752757, -0.0390270573, -0.0993964173, 0.0056133430, -0.2288219842, -0.0075134252, 0.0000000000, -0.0000000000, 0.6689121948, -0.0118542634 ] - [ -0.5276579070, -0.3075968405, 0.2574936016, 0.2342281577, -0.0682682073, -0.0336895243, -0.6689517808, 0.0093575038, -0.0000000000, 0.0000000000, -0.2284687807, 0.0147637477 ] - [ 0.0000000000, 0.1146915591, 0.0000000000, 0.0505226271, -0.0000000000, -0.6959118554, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000 ] - [ -0.0512517352, -0.3334372847, 0.0390270573, -0.6121752757, -0.0056133430, -0.0993964173, -0.0075134252, 0.2288219842, 0.0000000000, 0.0000000000, -0.0118542634, -0.6689121948 ] - [ 0.3075968405, -0.5276579070, -0.2342281577, 0.2574936016, 0.0336895243, -0.0682682073, 0.0093575038, 0.6689517808, 0.0000000000, 0.0000000000, 0.0147637477, 0.2284687807 ] band: - # 1 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.11469155910513, -0.00000000000000 ] - [ -0.33343728470089, 0.05125173522045 ] - [ -0.52765790696014, -0.30759684052452 ] - # atom 2 - [ 0.00000000000006, 0.11469155910513 ] - [ -0.05125173522063, -0.33343728470087 ] - [ 0.30759684052424, -0.52765790696030 ] - # 2 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.05052262707216, 0.00000000000000 ] - [ -0.61217527572349, -0.03902705730432 ] - [ 0.25749360160137, 0.23422815774180 ] - # atom 2 - [ 0.00000000000003, 0.05052262707216 ] - [ 0.03902705730400, -0.61217527572351 ] - [ -0.23422815774166, 0.25749360160149 ] - # 3 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.69591185535509, 0.00000000000000 ] - [ -0.09939641733651, 0.00561334302226 ] - [ -0.06826820731771, -0.03368952428640 ] - # atom 2 - [ -0.00000000000036, -0.69591185535509 ] - [ -0.00561334302231, -0.09939641733651 ] - [ 0.03368952428637, -0.06826820731773 ] - # 4 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22882198422189, -0.00751342524306 ] - [ -0.66895178084864, 0.00935750379705 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00751342524294, 0.22882198422189 ] - [ 0.00935750379740, 0.66895178084863 ] - # 5 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000037, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.66891219484859, -0.01185426339842 ] - [ -0.22846878074594, 0.01476374771480 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01185426339877, -0.66891219484858 ] - [ 0.01476374771492, 0.22846878074594 ] - q-position: [ 0.8333333, 0.0000000, 0.0000000 ] dynamical_matrix: - [ 0.0590533721, -0.0000000000, 0.6880449318, 0.0000000000, -0.1520094442, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2519600606, 0.0034930350, -0.1218355192, 0.0001415893, -0.6493504611, 0.0019978711, -0.0596337934, -0.0122451943, 0.0000000000, 0.0000000000, -0.7036590634, 0.0340262899 ] - [ -0.6571744472, -0.0337397659, 0.1082240298, 0.0061495914, 0.2345553478, 0.0147276918, -0.7042883198, 0.0164872230, -0.0000000000, -0.0000000000, 0.0586029485, -0.0164872230 ] - [ 0.0011358519, -0.0590424474, 0.0132340816, -0.6879176457, -0.0029237994, 0.1519813229, 0.0000000000, -0.0000000000, -0.0136007234, 0.7069759687, 0.0000000000, -0.0000000000 ] - [ -0.0013538935, 0.2519806350, -0.0022018612, 0.1218157033, -0.0104923180, 0.6492687610, 0.0133899449, -0.0593872332, 0.0000000000, -0.0000000000, -0.0204855862, -0.7041833615 ] - [ -0.0463738327, 0.6564039103, 0.0082300702, -0.1080857255, 0.0192364816, -0.2342286786, -0.0029376607, -0.7044751493, 0.0000000000, -0.0000000000, 0.0153569846, 0.0589092278 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.05905337210312, -0.00000000000000 ] - [ -0.25196006064217, 0.00349303499455 ] - [ -0.65717444715194, -0.03373976587825 ] - # atom 2 - [ 0.00113585190018, -0.05904244741887 ] - [ -0.00135389353400, 0.25198063501900 ] - [ -0.04637383268400, 0.65640391028175 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.68804493175726, 0.00000000000000 ] - [ -0.12183551915407, 0.00014158926839 ] - [ 0.10822402983559, 0.00614959138765 ] - # atom 2 - [ 0.01323408156571, -0.68791764565387 ] - [ -0.00220186120411, 0.12181570334855 ] - [ 0.00823007016835, -0.10808572548266 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.15200944420135, 0.00000000000000 ] - [ -0.64935046106380, 0.00199787108891 ] - [ 0.23455534783202, 0.01472769175185 ] - # atom 2 - [ -0.00292379943586, 0.15198132294221 ] - [ -0.01049231795401, 0.64926876102013 ] - [ 0.01923648155787, -0.23422867859895 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.05963379338575, -0.01224519434429 ] - [ -0.70428831978007, 0.01648722303060 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.01338994493587, -0.05938723324687 ] - [ -0.00293766073631, -0.70447514934971 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.01360072342076, 0.70697596870221 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70365906339583, 0.03402628987715 ] - [ 0.05860294851663, -0.01648722303060 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.02048558623518, -0.70418336153199 ] - [ 0.01535698464189, 0.05890922780696 ] - q-position: [ 0.8333333, 0.0000000, 0.1666667 ] dynamical_matrix: - [ 0.0072177940, 0.0000000000, -0.0642525057, 0.0000000000, 0.7041445299, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.6085389608, -0.0104564732, 0.3579909374, 0.0266192539, 0.0264285315, 0.0025361646, -0.3609609188, 0.0094752474, 0.0000000000, -0.0000000000, -0.6079602255, 0.0013412498 ] - [ 0.3543734244, 0.0627564729, -0.5843647234, -0.1597604130, -0.0569551994, -0.0152212645, 0.6078471643, -0.0118008312, -0.0000000000, 0.0000000000, -0.3610813964, -0.0016704432 ] - [ 0.0000000000, -0.0072177940, 0.0000000000, 0.0642525057, 0.0000000000, -0.7041445299, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ -0.0104564732, -0.6085389608, 0.0266192539, -0.3579909374, 0.0025361646, -0.0264285315, -0.0094752474, -0.3609609188, 0.0000000000, -0.0000000000, -0.0013412498, -0.6079602255 ] - [ 0.0627564729, -0.3543734244, -0.1597604130, 0.5843647234, -0.0152212645, 0.0569551994, 0.0118008312, 0.6078471643, 0.0000000000, -0.0000000000, 0.0016704432, -0.3610813964 ] band: - # 1 frequency: 455.6879734014 eigenvector: - # atom 1 - [ 0.00721779403451, 0.00000000000000 ] - [ 0.60853896078216, -0.01045647323641 ] - [ 0.35437342442785, 0.06275647286276 ] - # atom 2 - [ 0.00000000000000, -0.00721779403451 ] - [ -0.01045647323641, -0.60853896078216 ] - [ 0.06275647286276, -0.35437342442785 ] - # 2 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.06425250566946, 0.00000000000000 ] - [ 0.35799093744871, 0.02661925386721 ] - [ -0.58436472341866, -0.15976041301642 ] - # atom 2 - [ 0.00000000000000, 0.06425250566946 ] - [ 0.02661925386721, -0.35799093744871 ] - [ -0.15976041301642, 0.58436472341866 ] - # 3 frequency: 455.6879734014 eigenvector: - # atom 1 - [ 0.70414452988323, 0.00000000000000 ] - [ 0.02642853145536, 0.00253616460028 ] - [ -0.05695519938210, -0.01522126450422 ] - # atom 2 - [ 0.00000000000000, -0.70414452988323 ] - [ 0.00253616460028, -0.02642853145536 ] - [ -0.01522126450422, 0.05695519938210 ] - # 4 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.36096091879012, 0.00947524738675 ] - [ 0.60784716432255, -0.01180083124959 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00947524738675, -0.36096091879012 ] - [ 0.01180083124960, 0.60784716432255 ] - # 5 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.60796022554288, 0.00134124979141 ] - [ -0.36108139640032, -0.00167044318802 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00134124979141, -0.60796022554288 ] - [ 0.00167044318802, -0.36108139640032 ] - q-position: [ 0.8333333, 0.0000000, 0.3333333 ] dynamical_matrix: - [ 0.0279680385, 0.0000000000, 0.1701728400, 0.0000000000, -0.6857543243, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2372580850, -0.1486079364, 0.6209215429, 0.0946541658, 0.1637607255, 0.0174279553, -0.2293392338, 0.0231337804, -0.6684782075, -0.0022869560, 0.0000000000, 0.0000000000 ] - [ 0.3990405689, 0.5114769746, 0.0085784445, -0.2765224065, 0.0184033841, -0.0477599548, 0.6674230157, -0.0376146530, -0.2302413738, -0.0109802438, -0.0000000000, 0.0000000000 ] - [ -0.0072386610, -0.0270150507, -0.0440439720, -0.1643743411, 0.1774862794, 0.6623878124, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.1830127019, 0.6830127019 ] - [ -0.2049511547, -0.1907111477, -0.0692774175, -0.6242624552, -0.0255502824, -0.1626914008, -0.0817028775, -0.2155372259, -0.1708058615, -0.6462922727, -0.0000000000, -0.0000000000 ] - [ 0.3907695203, -0.5178235734, -0.2693203988, 0.0632831241, -0.0508957201, -0.0054151181, 0.2090747524, 0.6349457394, -0.0489847514, -0.2252379854, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.02796803850131, 0.00000000000000 ] - [ 0.23725808504831, -0.14860793635218 ] - [ 0.39904056890652, 0.51147697457608 ] - # atom 2 - [ -0.00723866101827, -0.02701505069907 ] - [ -0.20495115472895, -0.19071114766294 ] - [ 0.39076952029423, -0.51782357339519 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.17017284003635, 0.00000000000000 ] - [ 0.62092154286153, 0.09465416583231 ] - [ 0.00857844449562, -0.27652240651536 ] - # atom 2 - [ -0.04404397196042, -0.16437434112411 ] - [ -0.06927741746308, -0.62426245516497 ] - [ -0.26932039881368, 0.06328312411576 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.68575432432931, 0.00000000000000 ] - [ 0.16376072546930, 0.01742795533538 ] - [ 0.01840338414201, -0.04775995479862 ] - # atom 2 - [ 0.17748627939714, 0.66238781235928 ] - [ -0.02555028243323, -0.16269140082065 ] - [ -0.05089572011267, -0.00541511813882 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22933923379034, 0.02313378044994 ] - [ 0.66742301573204, -0.03761465296529 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08170287749023, -0.21553722593386 ] - [ 0.20907475235662, 0.63494573939319 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66847820748229, -0.00228695601617 ] - [ -0.23024137377703, -0.01098024383683 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.17080586145213, -0.64629227269104 ] - [ -0.04898475140288, -0.22523798543640 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189150, 0.68301270189241 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.8333333, 0.0000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2253290056, 0.0943313295, 0.0000000000, 0.0000000000, -0.5847239474, -0.3137297322, 0.0575181214, -0.0248448586, 0.0000000000, 0.0000000000, 0.6924309921, 0.1288942195 ] - [ -0.5865546148, -0.3102936083, -0.0000000000, 0.0000000000, 0.0474017352, 0.2396343798, -0.7032613053, 0.0387031676, 0.0000000000, 0.0000000000, 0.0538420951, 0.0320410688 ] - [ 0.0000000000, -0.0000000000, 0.6123724357, 0.3535533906, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000 ] - [ 0.2423063078, 0.0309711751, -0.0000000000, -0.0000000000, 0.3495209266, 0.5640598917, 0.0622345837, 0.0072427820, 0.0000000000, 0.0000000000, 0.5352157198, 0.4578411646 ] - [ 0.3528243930, 0.5619994548, -0.0000000000, -0.0000000000, 0.0787660831, -0.2312303282, -0.6283937397, -0.3181127263, 0.0000000000, 0.0000000000, 0.0306080878, 0.0546694271 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22532900564070, 0.09433132945163 ] - [ -0.58655461482132, -0.31029360826912 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.24230630782016, 0.03097117514235 ] - [ 0.35282439300800, 0.56199945480347 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, 0.35355339059295 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58472394739072, -0.31372973217194 ] - [ 0.04740173519804, 0.23963437983594 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.34952092655580, 0.56405989167856 ] - [ 0.07876608305288, -0.23123032815711 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.05751812143813, -0.02484485861575 ] - [ -0.70326130529282, 0.03870316762788 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.06223458365126, 0.00724278200436 ] - [ -0.62839373969629, -0.31811272627341 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, -0.35355339059295 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69243099214329, 0.12889421952146 ] - [ 0.05384209511239, 0.03204106876052 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.53521571980327, 0.45784116457792 ] - [ 0.03060808778008, 0.05466942706720 ] - q-position: [ 0.8333333, 0.0000000, 0.6666667 ] dynamical_matrix: - [ 0.5066672373, 0.0000000000, -0.1432273701, 0.0000000000, 0.4719896514, 0.0000000000, -0.0000000000, 0.0000000000, -0.5822763503, 0.0000000000, 0.4011910416, 0.0000000000 ] - [ -0.4644371904, 0.0004782217, 0.0892625229, -0.0046475596, 0.5256470005, -0.0019236799, 0.1207469362, 0.0151353803, -0.3951994631, 0.0021271146, -0.5735803574, 0.0030872288 ] - [ 0.1653956813, -0.0151804729, 0.6824999706, -0.0754341614, 0.0295601884, -0.0065950351, -0.6906717647, -0.0903527042, -0.0690442727, 0.0000000000, -0.1002087359, 0.0000000000 ] - [ -0.5053663863, -0.0362836741, 0.1428596387, 0.0102568606, -0.4707778339, -0.0338003277, -0.0000000000, -0.0000000000, -0.5807813754, -0.0416982267, 0.4001609971, 0.0287302670 ] - [ 0.4632790102, 0.0327824837, -0.0893661674, -0.0017566794, -0.5244351790, -0.0357241202, 0.1193530411, 0.0237435027, -0.3943371296, -0.0261795421, -0.5723287932, -0.0379961830 ] - [ -0.1660581440, 0.0032971102, -0.6861496989, 0.0263650027, -0.0299565802, 0.0044612255, -0.6824281111, -0.1395814128, -0.0688670039, -0.0049444284, -0.0999514534, -0.0071761915 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.50666723732324, 0.00000000000000 ] - [ -0.46443719036481, 0.00047822171557 ] - [ 0.16539568125320, -0.01518047285370 ] - # atom 2 - [ -0.50536638627175, -0.03628367406135 ] - [ 0.46327901015628, 0.03278248371590 ] - [ -0.16605814402665, 0.00329711020403 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ -0.14322737014151, 0.00000000000000 ] - [ 0.08926252289246, -0.00464755959883 ] - [ 0.68249997064161, -0.07543416144690 ] - # atom 2 - [ 0.14285963869703, 0.01025686058237 ] - [ -0.08936616742883, -0.00175667937754 ] - [ -0.68614969887814, 0.02636500272012 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.47198965143908, 0.00000000000000 ] - [ 0.52564700052626, -0.00192367991884 ] - [ 0.02956018842439, -0.00659503510582 ] - # atom 2 - [ -0.47077783392033, -0.03380032773309 ] - [ -0.52443517897369, -0.03572412016439 ] - [ -0.02995658015295, 0.00446122553478 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.12074693624671, 0.01513538031815 ] - [ -0.69067176465293, -0.09035270422555 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.11935304113526, 0.02374350273459 ] - [ -0.68242811111806, -0.13958141282238 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.58227635034722, 0.00000000000000 ] - [ -0.39519946307308, 0.00212711464965 ] - [ -0.06904427272654, 0.00000000000000 ] - # atom 2 - [ -0.58078137544692, -0.04169822667289 ] - [ -0.39433712963161, -0.02617954208715 ] - [ -0.06886700388388, -0.00494442841942 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.40119104155791, 0.00000000000000 ] - [ -0.57358035743716, 0.00308722884279 ] - [ -0.10020873591661, 0.00000000000000 ] - # atom 2 - [ 0.40016099708333, 0.02873026696007 ] - [ -0.57232879317706, -0.03799618296828 ] - [ -0.09995145336530, -0.00717619148084 ] - q-position: [ 0.8333333, 0.0000000, 0.8333333 ] dynamical_matrix: - [ 0.5634589196, -0.0000000000, 0.0322464827, 0.0000000000, 0.4259978993, 0.0000000000, -0.0076402511, 0.0000000000, 0.6907374729, 0.0000000000, -0.1510740549, 0.0000000000 ] - [ -0.4230515917, 0.0000000000, -0.0561008037, 0.0000000000, 0.5638085230, 0.0000000000, -0.1739696921, 0.0000000000, 0.1446019267, 0.0000000000, 0.6699438999, 0.0000000000 ] - [ 0.0595096348, 0.0000000000, -0.7041398044, 0.0000000000, -0.0254113988, 0.0000000000, 0.6853292441, 0.0000000000, 0.0444075029, 0.0000000000, 0.1683799302, 0.0000000000 ] - [ -0.5634589196, 0.0000000000, -0.0322464827, 0.0000000000, -0.4259978993, 0.0000000000, -0.0076402511, 0.0000000000, 0.6907374729, 0.0000000000, -0.1510740549, 0.0000000000 ] - [ 0.4230515917, 0.0000000000, 0.0561008037, 0.0000000000, -0.5638085230, 0.0000000000, -0.1739696921, 0.0000000000, 0.1446019267, 0.0000000000, 0.6699438999, 0.0000000000 ] - [ -0.0595096348, 0.0000000000, 0.7041398044, 0.0000000000, 0.0254113988, 0.0000000000, 0.6853292441, 0.0000000000, 0.0444075029, 0.0000000000, 0.1683799302, 0.0000000000 ] band: - # 1 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.56345891962305, -0.00000000000000 ] - [ -0.42305159172662, 0.00000000000000 ] - [ 0.05950963480646, 0.00000000000000 ] - # atom 2 - [ -0.56345891962305, 0.00000000000000 ] - [ 0.42305159172662, 0.00000000000000 ] - [ -0.05950963480646, 0.00000000000000 ] - # 2 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.03224648272699, 0.00000000000000 ] - [ -0.05610080368274, 0.00000000000000 ] - [ -0.70413980442657, 0.00000000000000 ] - # atom 2 - [ -0.03224648272699, 0.00000000000000 ] - [ 0.05610080368274, 0.00000000000000 ] - [ 0.70413980442657, 0.00000000000000 ] - # 3 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.42599789934806, 0.00000000000000 ] - [ 0.56380852296123, 0.00000000000000 ] - [ -0.02541139876734, 0.00000000000000 ] - # atom 2 - [ -0.42599789934806, 0.00000000000000 ] - [ -0.56380852296123, 0.00000000000000 ] - [ 0.02541139876734, 0.00000000000000 ] - # 4 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00764025110686, 0.00000000000000 ] - [ -0.17396969214647, 0.00000000000000 ] - [ 0.68532924406995, 0.00000000000000 ] - # atom 2 - [ -0.00764025110686, 0.00000000000000 ] - [ -0.17396969214647, 0.00000000000000 ] - [ 0.68532924406995, 0.00000000000000 ] - # 5 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.69073747291356, 0.00000000000000 ] - [ 0.14460192667175, 0.00000000000000 ] - [ 0.04440750292241, 0.00000000000000 ] - # atom 2 - [ 0.69073747291356, 0.00000000000000 ] - [ 0.14460192667175, 0.00000000000000 ] - [ 0.04440750292241, 0.00000000000000 ] - # 6 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.15107405493998, 0.00000000000000 ] - [ 0.66994389990303, 0.00000000000000 ] - [ 0.16837993023727, 0.00000000000000 ] - # atom 2 - [ -0.15107405493998, 0.00000000000000 ] - [ 0.66994389990303, 0.00000000000000 ] - [ 0.16837993023727, 0.00000000000000 ] - q-position: [ 0.8333333, 0.1666667, 0.0000000 ] dynamical_matrix: - [ -0.0134962677, 0.0000000000, -0.6586215158, 0.0000000000, -0.2569738306, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0473978444, 0.0297354350, 0.2553695234, 0.0004739779, -0.6569990267, -0.0027765063, 0.2619380606, -0.0091353571, -0.6567322029, 0.0027948616, 0.0000000000, 0.0000000000 ] - [ -0.6817903960, -0.1784627549, 0.0315561181, -0.0028446669, -0.0450703973, 0.0166637199, -0.6566395889, 0.0113775190, -0.2620741998, -0.0034808263, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, 0.0134962677, -0.0000000000, 0.6586215158, -0.0000000000, 0.2569738306, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812 ] - [ 0.0297354350, -0.0473978444, 0.0004739779, -0.2553695234, -0.0027765063, 0.6569990267, 0.0091353571, 0.2619380606, -0.0027948616, -0.6567322029, -0.0000000000, -0.0000000000 ] - [ -0.1784627549, 0.6817903960, -0.0028446669, -0.0315561181, 0.0166637199, 0.0450703973, -0.0113775190, -0.6566395889, 0.0034808263, -0.2620741998, 0.0000000000, -0.0000000000 ] band: - # 1 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.01349626771788, 0.00000000000000 ] - [ 0.04739784442268, 0.02973543501515 ] - [ -0.68179039602366, -0.17846275492699 ] - # atom 2 - [ 0.00000000000000, 0.01349626771788 ] - [ 0.02973543501515, -0.04739784442268 ] - [ -0.17846275492699, 0.68179039602366 ] - # 2 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.65862151583874, 0.00000000000000 ] - [ 0.25536952343301, 0.00047397793057 ] - [ 0.03155611812495, -0.00284466688385 ] - # atom 2 - [ -0.00000000000000, 0.65862151583874 ] - [ 0.00047397793057, -0.25536952343301 ] - [ -0.00284466688385, -0.03155611812495 ] - # 3 frequency: 455.6879734014 eigenvector: - # atom 1 - [ -0.25697383063644, 0.00000000000000 ] - [ -0.65699902671765, -0.00277650628086 ] - [ -0.04507039729510, 0.01666371989186 ] - # atom 2 - [ -0.00000000000000, 0.25697383063644 ] - [ -0.00277650628086, 0.65699902671765 ] - [ 0.01666371989186, 0.04507039729511 ] - # 4 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.26193806063925, -0.00913535709473 ] - [ -0.65663958889178, 0.01137751903243 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00913535709473, 0.26193806063925 ] - [ -0.01137751903243, -0.65663958889178 ] - # 5 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.65673220294713, 0.00279486162673 ] - [ -0.26207419981540, -0.00348082631268 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00279486162673, -0.65673220294713 ] - [ 0.00348082631268, -0.26207419981540 ] - # 6 frequency: 1205.6370530606 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, 0.70710678118655 ] - [ -0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - q-position: [ 0.8333333, 0.1666667, 0.1666667 ] dynamical_matrix: - [ 0.1700968603, 0.0000000000, 0.6319777924, 0.0000000000, 0.2677146391, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2348575549, 0.0361714196, -0.2051008680, -0.0138277949, 0.6333898177, 0.0096603399, -0.1216510416, -0.0848489735, 0.0000000000, -0.0000000000, -0.6903042818, -0.0384925232 ] - [ -0.6254223694, -0.1531256846, 0.2301286203, 0.0733983248, -0.1458784477, -0.0759760958, 0.6824586748, 0.1106879984, -0.0000000000, 0.0000000000, -0.1370374178, 0.0567368518 ] - [ 0.0121810502, -0.1696601424, 0.0452574679, -0.6303552107, 0.0191716969, -0.2670272908, 0.0000000000, 0.0000000000, -0.0506376377, 0.7052913084, 0.0000000000, 0.0000000000 ] - [ 0.0192598296, 0.2368448894, -0.0284800649, 0.2035840364, 0.0549941238, -0.6310718103, 0.0933428538, -0.1152624651, 0.0000000000, -0.0000000000, 0.0878280647, -0.6857754055 ] - [ -0.1975205576, 0.6128509156, 0.0896899477, -0.2242815401, -0.0862277404, 0.1400630766, -0.1592763375, 0.6727798482, 0.0000000000, -0.0000000000, -0.0467775988, -0.1407486429 ] band: - # 1 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.17009686033687, 0.00000000000000 ] - [ -0.23485755488648, 0.03617141959923 ] - [ -0.62542236940060, -0.15312568456596 ] - # atom 2 - [ 0.01218105017412, -0.16966014238210 ] - [ 0.01925982956438, 0.23684488942815 ] - [ -0.19752055764560, 0.61285091558048 ] - # 2 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.63197779240128, 0.00000000000000 ] - [ -0.20510086799911, -0.01382779494489 ] - [ 0.23012862026811, 0.07339832476341 ] - # atom 2 - [ 0.04525746790931, -0.63035521072395 ] - [ -0.02848006490795, 0.20358403638268 ] - [ 0.08968994765536, -0.22428154011010 ] - # 3 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.26771463914987, 0.00000000000000 ] - [ 0.63338981771304, 0.00966033991829 ] - [ -0.14587844770059, -0.07597609578959 ] - # atom 2 - [ 0.01917169691065, -0.26702729083880 ] - [ 0.05499412379988, -0.63107181025409 ] - [ -0.08622774042399, 0.14006307656316 ] - # 4 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.12165104159422, -0.08484897352188 ] - [ 0.68245867477183, 0.11068799844611 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.09334285382250, -0.11526246513478 ] - [ -0.15927633750477, 0.67277984815420 ] - # 5 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063763765561, 0.70529130836319 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69030428177166, -0.03849252315759 ] - [ -0.13703741778929, 0.05673685181890 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.08782806467825, -0.68577540552735 ] - [ -0.04677759883590, -0.14074864289159 ] - q-position: [ 0.8333333, 0.1666667, 0.3333333 ] dynamical_matrix: - [ -0.0229715966, 0.0000000000, -0.6904241281, 0.0000000000, -0.1509530692, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0289629681, 0.0208634485, -0.1517538544, -0.0019916951, 0.6896792329, 0.0059346102, 0.2427970618, -0.0650973197, 0.0000000000, -0.0000000000, -0.6607002727, 0.0169432981 ] - [ -0.7032346072, -0.0604917839, 0.0157472682, 0.0057747495, 0.0349918541, -0.0172068943, -0.6544139558, 0.0924894603, -0.0000000000, 0.0000000000, -0.2502170523, -0.0240728267 ] - [ -0.0000000000, 0.0229715966, -0.0000000000, 0.6904241281, -0.0000000000, 0.1509530692, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.0208634485, -0.0289629681, -0.0019916951, 0.1517538544, 0.0059346102, -0.6896792329, 0.0650973197, 0.2427970618, 0.0000000000, -0.0000000000, -0.0169432981, -0.6607002727 ] - [ -0.0604917839, 0.7032346072, 0.0057747495, -0.0157472682, -0.0172068943, -0.0349918541, -0.0924894603, -0.6544139558, 0.0000000000, -0.0000000000, 0.0240728267, -0.2502170523 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.02297159660603, 0.00000000000000 ] - [ 0.02896296805401, 0.02086344854508 ] - [ -0.70323460724421, -0.06049178390294 ] - # atom 2 - [ -0.00000000000004, 0.02297159660603 ] - [ 0.02086344854513, -0.02896296805398 ] - [ -0.06049178390404, 0.70323460724412 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.69042412808697, 0.00000000000000 ] - [ -0.15175385437455, -0.00199169508225 ] - [ 0.01574726824009, 0.00577474947454 ] - # atom 2 - [ -0.00000000000108, 0.69042412808697 ] - [ -0.00199169508249, 0.15175385437455 ] - [ 0.00577474947456, -0.01574726824008 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.15095306921266, 0.00000000000000 ] - [ 0.68967923285527, 0.00593461015045 ] - [ 0.03499185409181, -0.01720689434557 ] - # atom 2 - [ -0.00000000000024, 0.15095306921266 ] - [ 0.00593461015153, -0.68967923285526 ] - [ -0.01720689434552, -0.03499185409184 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.24279706178691, -0.06509731967135 ] - [ -0.65441395576499, 0.09248946026044 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.06509731967097, 0.24279706178702 ] - [ -0.09248946025941, -0.65441395576513 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66070027274774, 0.01694329809430 ] - [ -0.25021705228649, -0.02407282671010 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01694329809326, -0.66070027274776 ] - [ 0.02407282671049, -0.25021705228645 ] - q-position: [ 0.8333333, 0.1666667, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.2216986410, 0.0240008458, 0.0000000000, 0.0000000000, 0.6707968189, -0.0174728271, -0.0217198675, 0.0131620027, 0.7063643576, -0.0201097821, 0.0000000000, 0.0000000000 ] - [ 0.6708039818, -0.0171956398, -0.0000000000, 0.0000000000, 0.2226423438, 0.0125185772, 0.7066047993, -0.0080415588, 0.0222268902, 0.0122864279, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, -0.0000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000 ] - [ 0.1737357733, 0.1397934517, -0.0000000000, -0.0000000000, -0.4866801340, -0.4619698249, -0.0246652069, -0.0060513243, 0.5136947906, 0.4852552639, 0.0000000000, 0.0000000000 ] - [ -0.4864891978, -0.4621708909, -0.0000000000, -0.0000000000, -0.1485799403, -0.1662838819, 0.5053312860, 0.4939588044, 0.0070289683, 0.0244046013, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22169864104588, 0.02400084575740 ] - [ 0.67080398175226, -0.01719563975698 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.17373577325265, 0.13979345167411 ] - [ -0.48648919782296, -0.46217089086496 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67079681892113, -0.01747282709312 ] - [ 0.22264234382482, 0.01251857718958 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.48668013398154, -0.46196982493345 ] - [ -0.14857994027623, -0.16628388191936 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.02171986749648, 0.01316200265233 ] - [ 0.70660479928565, -0.00804155884177 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02466520692269, -0.00605132426378 ] - [ 0.50533128598217, 0.49395880440551 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70636435761236, -0.02010978212196 ] - [ 0.02222689020194, 0.01228642787125 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.51369479056280, 0.48525526394956 ] - [ 0.00702896832216, 0.02440460125080 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.1666667, 0.6666667 ] dynamical_matrix: - [ -0.0794119373, 0.0000000000, -0.7023334139, 0.0000000000, 0.0205309523, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0105321591, -0.0000000000, -0.0218491831, 0.0000000000, -0.7066906585, -0.0000000000, -0.1210953336, -0.0000000000, 0.0000000000, -0.0000000000, -0.6966605487, -0.0000000000 ] - [ 0.7025544946, 0.0000000000, -0.0790594016, -0.0000000000, 0.0129148432, 0.0000000000, -0.6966605487, 0.0000000000, -0.0000000000, 0.0000000000, 0.1210953336, -0.0000000000 ] - [ 0.0794119373, -0.0000000000, 0.7023334139, -0.0000000000, -0.0205309523, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0105321591, 0.0000000000, 0.0218491831, -0.0000000000, 0.7066906585, -0.0000000000, -0.1210953336, 0.0000000000, -0.0000000000, 0.0000000000, -0.6966605487, 0.0000000000 ] - [ -0.7025544946, 0.0000000000, 0.0790594016, -0.0000000000, -0.0129148432, -0.0000000000, -0.6966605487, 0.0000000000, -0.0000000000, 0.0000000000, 0.1210953336, -0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.07941193731878, 0.00000000000000 ] - [ 0.01053215913167, -0.00000000000029 ] - [ 0.70255449456630, 0.00000000000087 ] - # atom 2 - [ 0.07941193731878, -0.00000000000012 ] - [ -0.01053215913167, 0.00000000000031 ] - [ -0.70255449456630, 0.00000000000023 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70233341385043, 0.00000000000000 ] - [ -0.02184918306157, 0.00000000000001 ] - [ -0.07905940164679, -0.00000000000009 ] - # atom 2 - [ 0.70233341385043, -0.00000000000110 ] - [ 0.02184918306157, -0.00000000000005 ] - [ 0.07905940164679, -0.00000000000003 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.02053095225469, 0.00000000000000 ] - [ -0.70669065850878, -0.00000000000063 ] - [ 0.01291484324134, 0.00000000000032 ] - # atom 2 - [ -0.02053095225469, 0.00000000000003 ] - [ 0.70669065850878, -0.00000000000048 ] - [ -0.01291484324134, -0.00000000000030 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12109533364603, -0.00000000000009 ] - [ -0.69666054873888, 0.00000000000002 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12109533364603, 0.00000000000010 ] - [ -0.69666054873888, 0.00000000000112 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000111 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69666054873888, -0.00000000000040 ] - [ 0.12109533364603, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69666054873888, 0.00000000000069 ] - [ 0.12109533364603, -0.00000000000021 ] - q-position: [ 0.8333333, 0.1666667, 0.8333333 ] dynamical_matrix: - [ 0.1101986828, 0.0000000000, 0.6239988401, 0.0000000000, 0.3138179375, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0315982664, -0.0014663534, 0.3128980491, 0.0039341058, -0.6332656082, -0.0073076997, 0.2039514687, 0.0018613389, 0.0000000000, -0.0000000000, 0.6770337964, 0.0050569073 ] - [ 0.6977012937, 0.0082797639, -0.1126945368, -0.0021731566, -0.0209181901, 0.0014136481, 0.6770526124, -0.0003063219, -0.0000000000, 0.0000000000, -0.2039595084, 0.0004302515 ] - [ -0.1099157514, 0.0078915959, -0.6223967441, 0.0446860757, -0.3130122205, 0.0224732663, 0.0000000000, -0.0000000000, 0.7052913084, -0.0506376377, 0.0000000000, -0.0000000000 ] - [ -0.0314121298, 0.0037254173, -0.3123764248, 0.0184833858, 0.6321630423, -0.0380607542, 0.2035611252, -0.0127489011, -0.0000000000, 0.0000000000, 0.6756576724, -0.0434401141 ] - [ -0.6965029032, 0.0417055819, 0.1125608224, -0.0059027530, 0.0207632485, -0.0029080211, 0.6752923662, -0.0487909209, -0.0000000000, 0.0000000000, -0.2034050379, 0.0150351837 ] band: - # 1 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.11019868276725, 0.00000000000000 ] - [ 0.03159826641852, -0.00146635337932 ] - [ 0.69770129367333, 0.00827976388770 ] - # atom 2 - [ -0.10991575136416, 0.00789159588985 ] - [ -0.03141212980020, 0.00372541733293 ] - [ -0.69650290316653, 0.04170558192936 ] - # 2 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.62399884009068, 0.00000000000000 ] - [ 0.31289804911163, 0.00393410577928 ] - [ -0.11269453682236, -0.00217315662777 ] - # atom 2 - [ -0.62239674410443, 0.04468607571407 ] - [ -0.31237642480890, 0.01848338577636 ] - [ 0.11256082243357, -0.00590275295210 ] - # 3 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.31381793747625, 0.00000000000000 ] - [ -0.63326560822989, -0.00730769965107 ] - [ -0.02091819007827, 0.00141364813173 ] - # atom 2 - [ -0.31301222050092, 0.02247326631642 ] - [ 0.63216304228734, -0.03806075415670 ] - [ 0.02076324854697, -0.00290802114291 ] - # 4 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.20395146874520, 0.00186133887686 ] - [ 0.67705261241734, -0.00030632191611 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.20356112523198, -0.01274890113025 ] - [ 0.67529236620116, -0.04879092092494 ] - # 5 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70529130836319, -0.05063763765561 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67703379642565, 0.00505690732870 ] - [ -0.20395950840637, 0.00043025152155 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.67565767241889, -0.04344011413146 ] - [ -0.20340503788557, 0.01503518368727 ] - q-position: [ 0.8333333, 0.3333333, 0.0000000 ] dynamical_matrix: - [ 0.0279680385, 0.0000000000, 0.1701728400, 0.0000000000, -0.6857543243, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.2372580850, -0.1486079364, 0.6209215429, 0.0946541658, 0.1637607255, 0.0174279553, -0.2293392338, 0.0231337804, -0.6684782075, -0.0022869560, 0.0000000000, 0.0000000000 ] - [ 0.3990405689, 0.5114769746, 0.0085784445, -0.2765224065, 0.0184033841, -0.0477599548, 0.6674230157, -0.0376146530, -0.2302413738, -0.0109802438, -0.0000000000, 0.0000000000 ] - [ -0.0072386610, -0.0270150507, -0.0440439720, -0.1643743411, 0.1774862794, 0.6623878124, 0.0000000000, 0.0000000000, -0.0000000000, -0.0000000000, 0.1830127019, 0.6830127019 ] - [ -0.2049511547, -0.1907111477, -0.0692774175, -0.6242624552, -0.0255502824, -0.1626914008, -0.0817028775, -0.2155372259, -0.1708058615, -0.6462922727, -0.0000000000, -0.0000000000 ] - [ 0.3907695203, -0.5178235734, -0.2693203988, 0.0632831241, -0.0508957201, -0.0054151181, 0.2090747524, 0.6349457394, -0.0489847514, -0.2252379854, -0.0000000000, -0.0000000000 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.02796803850131, 0.00000000000000 ] - [ 0.23725808504831, -0.14860793635218 ] - [ 0.39904056890652, 0.51147697457608 ] - # atom 2 - [ -0.00723866101827, -0.02701505069907 ] - [ -0.20495115472895, -0.19071114766294 ] - [ 0.39076952029423, -0.51782357339519 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.17017284003635, 0.00000000000000 ] - [ 0.62092154286153, 0.09465416583231 ] - [ 0.00857844449562, -0.27652240651536 ] - # atom 2 - [ -0.04404397196042, -0.16437434112411 ] - [ -0.06927741746308, -0.62426245516497 ] - [ -0.26932039881368, 0.06328312411576 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ -0.68575432432931, 0.00000000000000 ] - [ 0.16376072546930, 0.01742795533538 ] - [ 0.01840338414201, -0.04775995479862 ] - # atom 2 - [ 0.17748627939714, 0.66238781235928 ] - [ -0.02555028243323, -0.16269140082065 ] - [ -0.05089572011267, -0.00541511813882 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.22933923379034, 0.02313378044994 ] - [ 0.66742301573204, -0.03761465296529 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.08170287749023, -0.21553722593386 ] - [ 0.20907475235662, 0.63494573939319 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.66847820748229, -0.00228695601617 ] - [ -0.23024137377703, -0.01098024383683 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.17080586145213, -0.64629227269104 ] - [ -0.04898475140288, -0.22523798543640 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189150, 0.68301270189241 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - q-position: [ 0.8333333, 0.3333333, 0.1666667 ] dynamical_matrix: - [ -0.0962117886, 0.0000000000, -0.6750088039, 0.0000000000, 0.1873670365, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0841091193, 0.0565065504, -0.1758675003, -0.0146813862, -0.6767700561, -0.0238754305, -0.1239581084, 0.0404909629, 0.0000000000, 0.0000000000, -0.6937977740, -0.0404909629 ] - [ -0.6735233869, -0.1638359081, 0.1067998519, 0.0425674231, 0.0389073272, 0.0692247677, -0.6925931541, -0.0575290553, -0.0000000000, 0.0000000000, 0.1170279390, 0.0575290553 ] - [ -0.0000000000, 0.0962117886, -0.0000000000, 0.6750088039, 0.0000000000, -0.1873670365, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000 ] - [ 0.0565065504, 0.0841091193, -0.0146813862, 0.1758675003, -0.0238754305, 0.6767700561, -0.0404909629, -0.1239581084, 0.0000000000, -0.0000000000, 0.0404909629, -0.6937977740 ] - [ -0.1638359081, 0.6735233869, 0.0425674231, -0.1067998519, 0.0692247677, -0.0389073272, 0.0575290553, -0.6925931541, 0.0000000000, -0.0000000000, -0.0575290553, 0.1170279390 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.09621178860004, 0.00000000000000 ] - [ -0.08410911931219, 0.05650655043624 ] - [ -0.67352338694660, -0.16383590808090 ] - # atom 2 - [ -0.00000000000015, 0.09621178860004 ] - [ 0.05650655043611, 0.08410911931227 ] - [ -0.16383590808195, 0.67352338694634 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.67500880391406, 0.00000000000000 ] - [ -0.17586750028238, -0.01468138619392 ] - [ 0.10679985194286, 0.04256742307612 ] - # atom 2 - [ -0.00000000000106, 0.67500880391406 ] - [ -0.01468138619420, 0.17586750028236 ] - [ 0.04256742307629, -0.10679985194280 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.18736703651627, 0.00000000000000 ] - [ -0.67677005612754, -0.02387543045269 ] - [ 0.03890732719908, 0.06922476772917 ] - # atom 2 - [ 0.00000000000029, -0.18736703651627 ] - [ -0.02387543045376, 0.67677005612750 ] - [ 0.06922476772924, -0.03890732719897 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12395810838118, 0.04049096290576 ] - [ -0.69259315408360, -0.05752905532036 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.04049096290556, -0.12395810838125 ] - [ 0.05752905532145, -0.69259315408351 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000111, 0.70710678118655 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69379777400373, -0.04049096290527 ] - [ 0.11702793899075, 0.05752905532036 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.04049096290636, -0.69379777400366 ] - [ -0.05752905532055, 0.11702793899066 ] - q-position: [ 0.8333333, 0.3333333, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0305782328, -0.0003474391, 0.0000000000, 0.0000000000, -0.7062983519, 0.0144044795, -0.0565185600, -0.0324802445, 0.0000000000, 0.0000000000, -0.7037278972, -0.0227537411 ] - [ -0.7064444602, 0.0010371168, -0.0000000000, 0.0000000000, 0.0305633331, -0.0010157301, 0.7035267078, 0.0282994266, 0.0000000000, 0.0000000000, -0.0587235589, 0.0282994266 ] - [ 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, -0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.1830127019, -0.6830127019, -0.0000000000, 0.0000000000 ] - [ -0.0082498294, 0.0294463810, 0.0000000000, -0.0000000000, -0.1688898063, 0.6859599728, 0.0460015867, -0.0461862309, -0.0000000000, 0.0000000000, 0.2041166085, -0.6738598491 ] - [ -0.1818395027, 0.6826413745, 0.0000000000, -0.0000000000, 0.0069292527, -0.0297848031, -0.2094212577, 0.6722301859, -0.0000000000, 0.0000000000, -0.0121363716, -0.0640470327 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.03057823281661, -0.00034743906873 ] - [ -0.70644446020382, 0.00103711679461 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00824982938808, 0.02944638095184 ] - [ -0.18183950271148, 0.68264137452805 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189258, 0.68301270189212 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70629835192687, 0.01440447948718 ] - [ 0.03056333307119, -0.00101573011814 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.16888980625264, 0.68595997281755 ] - [ 0.00692925272700, -0.02978480305019 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.05651856003370, -0.03248024450278 ] - [ 0.70352670776732, 0.02829942661666 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.04600158674793, -0.04618623093429 ] - [ -0.20942125774701, 0.67223018594260 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189258, -0.68301270189212 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.70372789724080, -0.02275374109461 ] - [ -0.05872355885343, 0.02829942661666 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.20411660854420, -0.67385984908226 ] - [ -0.01213637161070, -0.06404703268201 ] - q-position: [ 0.8333333, 0.3333333, 0.5000000 ] dynamical_matrix: - [ -0.0000000000, 0.0000000000, 0.2259240252, 0.0000000000, -0.1750502131, 0.0000000000, 0.9494146122, 0.0000000000, 0.0000000000, 0.0000000000, -0.1301063100, 0.0000000000 ] - [ 0.0067486118, 0.1515435306, -0.5476429301, -0.0342781126, -0.4236346264, -0.0364347559, 0.1439930096, 0.0061342293, -0.1567378211, 0.0030971366, 0.6697653925, 0.0342611326 ] - [ -0.3305944320, 0.8107536751, 0.0813308112, -0.0127062644, -0.0499276358, -0.0482432703, -0.0394995765, -0.0108842938, 0.2561326174, 0.3831384707, -0.0798350795, -0.0365805719 ] - [ 0.0464366907, -0.0252854648, 0.6159070929, 0.4614943072, -0.3608427205, -0.2682394034, -0.1699860781, -0.1263296859, -0.0027545256, -0.0334332883, 0.3145622854, 0.2404092970 ] - [ 0.0154562622, 0.0899006407, -0.0961394037, -0.1016257528, -0.4841506291, -0.4634101068, -0.1274777990, -0.1164308463, -0.2576171972, -0.2568608696, -0.4457801887, -0.4026000583 ] - [ -0.0717029437, 0.4405868361, 0.1296288070, 0.1113627772, 0.2664411188, 0.2478749238, 0.0255357431, 0.0291261482, -0.5762111409, -0.5454684959, 0.0529543484, 0.0724158524 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00674861183713, 0.15154353061564 ] - [ -0.33059443195159, 0.81075367505672 ] - # atom 2 - [ 0.04643669068547, -0.02528546475207 ] - [ 0.01545626216415, 0.08990064071488 ] - [ -0.07170294371648, 0.44058683612117 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.22592402522466, 0.00000000000000 ] - [ -0.54764293011039, -0.03427811256652 ] - [ 0.08133081116856, -0.01270626439026 ] - # atom 2 - [ 0.61590709287353, 0.46149430719099 ] - [ -0.09613940366063, -0.10162575278524 ] - [ 0.12962880695013, 0.11136277720519 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.17505021305861, 0.00000000000000 ] - [ -0.42363462636311, -0.03643475588132 ] - [ -0.04992763578270, -0.04824327031779 ] - # atom 2 - [ -0.36084272047087, -0.26823940344551 ] - [ -0.48415062910868, -0.46341010680361 ] - [ 0.26644111878917, 0.24787492382063 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.94941461218386, 0.00000000000000 ] - [ 0.14399300957970, 0.00613422929624 ] - [ -0.03949957651822, -0.01088429380628 ] - # atom 2 - [ -0.16998607814790, -0.12632968585213 ] - [ -0.12747779904727, -0.11643084631261 ] - [ 0.02553574309758, 0.02912614818263 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.15673782105588, 0.00309713663439 ] - [ 0.25613261742788, 0.38313847069568 ] - # atom 2 - [ -0.00275452557174, -0.03343328825332 ] - [ -0.25761719720925, -0.25686086961613 ] - [ -0.57621114092876, -0.54546849589593 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.13010631001682, 0.00000000000000 ] - [ 0.66976539249730, 0.03426113260295 ] - [ -0.07983507951972, -0.03658057192775 ] - # atom 2 - [ 0.31456228540140, 0.24040929696686 ] - [ -0.44578018865337, -0.40260005834919 ] - [ 0.05295434839825, 0.07241585238799 ] - q-position: [ 0.8333333, 0.3333333, 0.6666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.3218904006, -0.0044955247, 0.0000000000, 0.0000000000, 0.6295720585, 0.0023202062, 0.1134936220, -0.1170243268, 0.0000000000, 0.0000000000, 0.6386261595, 0.2560881355 ] - [ 0.6295680950, 0.0032208625, -0.0000000000, 0.0000000000, 0.3219174994, -0.0016623343, 0.6843336381, 0.0714980869, 0.0000000000, 0.0000000000, -0.0457740909, -0.1564615860 ] - [ 0.0000000000, -0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.0000000000, -0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000 ] - [ 0.2307897011, -0.2244320691, -0.0000000000, 0.0000000000, -0.4468153054, 0.4435340383, -0.0024965853, -0.1630008048, 0.0000000000, -0.0000000000, 0.6326585452, -0.2704952308 ] - [ -0.4474493629, 0.4428943755, -0.0000000000, 0.0000000000, -0.2264545989, 0.2288054946, 0.5344537382, -0.4333401740, 0.0000000000, -0.0000000000, -0.1430022186, -0.0782678784 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.32189040060589, -0.00449552468439 ] - [ 0.62956809504662, 0.00322086245557 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.23078970105696, -0.22443206907760 ] - [ -0.44744936291046, 0.44289437554186 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000079, -0.49999999999921 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.62957205854367, 0.00232020617131 ] - [ 0.32191749935198, -0.00166233431553 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.44681530535998, 0.44353403832362 ] - [ -0.22645459890765, 0.22880549464116 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11349362197286, -0.11702432682351 ] - [ 0.68433363812216, 0.07149808694975 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00249658534201, -0.16300080477913 ] - [ 0.53445373823496, -0.43334017398536 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000079, 0.49999999999921 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63862615948554, 0.25608813546070 ] - [ -0.04577409094236, -0.15646158600568 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.63265854518145, -0.27049523084867 ] - [ -0.14300221856769, -0.07826787835205 ] - q-position: [ 0.8333333, 0.3333333, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0092451825, 0.0018480995, 0.0000000000, 0.0000000000, 0.5634699436, -0.4270980377, -0.3508244422, 0.1283108962, 0.0000000000, 0.0000000000, 0.6002361551, 0.0132318852 ] - [ 0.7068525686, -0.0164486288, -0.0000000000, 0.0000000000, -0.0060855918, 0.0072010030, 0.5785994028, -0.1602537233, 0.0000000000, 0.0000000000, 0.3715928897, 0.0382125586 ] - [ 0.0000000000, 0.0000000000, 0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, 0.0000000000, 0.0000000000 ] - [ -0.0089306127, 0.0030220902, -0.0000000000, 0.0000000000, -0.2744302666, 0.6516127223, -0.2396674311, 0.2865327168, 0.0000000000, -0.0000000000, 0.5264357012, -0.2886589288 ] - [ -0.6039279668, 0.3676712147, -0.0000000000, 0.0000000000, 0.0016697756, -0.0092790474, 0.4209549197, -0.4280834968, 0.0000000000, -0.0000000000, 0.3409151617, -0.1527033983 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00924518253414, 0.00184809949630 ] - [ 0.70685256860257, -0.01644862876088 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00893061268534, 0.00302209015454 ] - [ -0.60392796675986, 0.36767121466531 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.56346994360799, -0.42709803766650 ] - [ -0.00608559178909, 0.00720100301447 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.27443026660059, 0.65161272232952 ] - [ 0.00166977557918, -0.00927904743780 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.35082444216081, 0.12831089619093 ] - [ 0.57859940275270, -0.16025372331231 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23966743108445, 0.28653271676397 ] - [ 0.42095491974241, -0.42808349681563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.60023615512150, 0.01323188520934 ] - [ 0.37159288967979, 0.03821255864487 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.52643570120994, -0.28865892882923 ] - [ 0.34091516165088, -0.15270339830966 ] - q-position: [ 0.8333333, 0.5000000, 0.0000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2253290056, 0.0943313295, 0.0000000000, 0.0000000000, -0.5847239474, -0.3137297322, 0.0575181214, -0.0248448586, 0.0000000000, 0.0000000000, 0.6924309921, 0.1288942195 ] - [ -0.5865546148, -0.3102936083, -0.0000000000, 0.0000000000, 0.0474017352, 0.2396343798, -0.7032613053, 0.0387031676, 0.0000000000, 0.0000000000, 0.0538420951, 0.0320410688 ] - [ 0.0000000000, -0.0000000000, 0.6123724357, 0.3535533906, 0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, -0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000 ] - [ 0.2423063078, 0.0309711751, -0.0000000000, -0.0000000000, 0.3495209266, 0.5640598917, 0.0622345837, 0.0072427820, 0.0000000000, 0.0000000000, 0.5352157198, 0.4578411646 ] - [ 0.3528243930, 0.5619994548, -0.0000000000, -0.0000000000, 0.0787660831, -0.2312303282, -0.6283937397, -0.3181127263, 0.0000000000, 0.0000000000, 0.0306080878, 0.0546694271 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22532900564070, 0.09433132945163 ] - [ -0.58655461482132, -0.31029360826912 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.24230630782016, 0.03097117514235 ] - [ 0.35282439300800, 0.56199945480347 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, 0.35355339059295 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.58472394739072, -0.31372973217194 ] - [ 0.04740173519804, 0.23963437983594 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.34952092655580, 0.56405989167856 ] - [ 0.07876608305288, -0.23123032815711 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.05751812143813, -0.02484485861575 ] - [ -0.70326130529282, 0.03870316762788 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.06223458365126, 0.00724278200436 ] - [ -0.62839373969629, -0.31811272627341 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, -0.35355339059295 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69243099214329, 0.12889421952146 ] - [ 0.05384209511239, 0.03204106876052 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.53521571980327, 0.45784116457792 ] - [ 0.03060808778008, 0.05466942706720 ] - q-position: [ 0.8333333, 0.5000000, 0.1666667 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000 ] - [ -0.2216986410, 0.0240008458, 0.0000000000, 0.0000000000, 0.6707968189, -0.0174728271, -0.0217198675, 0.0131620027, 0.7063643576, -0.0201097821, 0.0000000000, 0.0000000000 ] - [ 0.6708039818, -0.0171956398, -0.0000000000, 0.0000000000, 0.2226423438, 0.0125185772, 0.7066047993, -0.0080415588, 0.0222268902, 0.0122864279, 0.0000000000, 0.0000000000 ] - [ -0.0000000000, -0.0000000000, 0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.5000000000, -0.5000000000 ] - [ 0.1737357733, 0.1397934517, -0.0000000000, -0.0000000000, -0.4866801340, -0.4619698249, -0.0246652069, -0.0060513243, 0.5136947906, 0.4852552639, 0.0000000000, 0.0000000000 ] - [ -0.4864891978, -0.4621708909, -0.0000000000, -0.0000000000, -0.1485799403, -0.1662838819, 0.5053312860, 0.4939588044, 0.0070289683, 0.0244046013, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22169864104588, 0.02400084575740 ] - [ 0.67080398175226, -0.01719563975698 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.17373577325265, 0.13979345167411 ] - [ -0.48648919782296, -0.46217089086496 ] - # 2 frequency: 789.2747223284 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000000, 0.50000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 3 frequency: 789.2747223284 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67079681892113, -0.01747282709312 ] - [ 0.22264234382482, 0.01251857718958 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.48668013398154, -0.46196982493345 ] - [ -0.14857994027623, -0.16628388191936 ] - # 4 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.02171986749648, 0.01316200265233 ] - [ 0.70660479928565, -0.00804155884177 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02466520692269, -0.00605132426378 ] - [ 0.50533128598217, 0.49395880440551 ] - # 5 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.70636435761236, -0.02010978212196 ] - [ 0.02222689020194, 0.01228642787125 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.51369479056280, 0.48525526394956 ] - [ 0.00702896832216, 0.02440460125080 ] - # 6 frequency: 1018.9492850524 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000000, -0.50000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.5000000, 0.3333333 ] dynamical_matrix: - [ 0.0019565545, 0.0000000000, -0.0029551556, 0.0000000000, -0.9011306904, 0.0000000000, 0.0074259664, 0.0000000000, 0.4289340199, 0.0000000000, 0.0625410214, 0.0000000000 ] - [ 0.3274788665, 0.1943614112, -0.0519634521, -0.0906435960, 0.0041702136, -0.0095579151, -0.4086294827, -0.3859629419, -0.0708154988, -0.0765769745, 0.5815904779, 0.4229470760 ] - [ 0.6509797966, -0.2657729376, 0.0887347531, -0.5950081619, -0.0095402179, 0.0060906512, 0.3543122457, 0.0750424082, -0.0140052814, 0.0016843944, -0.0996498711, 0.0474948074 ] - [ -0.0189100816, 0.0137010060, -0.0451422509, 0.0055058633, -0.3251091104, -0.2853841092, 0.0213036941, -0.0042015426, -0.6696247757, -0.5893680508, -0.0958659508, -0.0695176956 ] - [ 0.1817562029, 0.0869883424, 0.0252976069, -0.1108157181, -0.0065020623, -0.0110948799, -0.3968031551, -0.5887882201, 0.0583847990, 0.0559247101, -0.4514899901, -0.4814648113 ] - [ 0.2387911429, 0.5122486194, -0.7821920794, 0.0188031209, 0.0169147079, 0.0116240551, 0.1285593130, 0.1780661917, 0.0383748955, 0.0343034028, -0.0791691587, -0.1040611945 ] band: - # 1 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00195655445217, 0.00000000000000 ] - [ 0.32747886650648, 0.19436141116443 ] - [ 0.65097979660083, -0.26577293761177 ] - # atom 2 - [ -0.01891008157398, 0.01370100599757 ] - [ 0.18175620285509, 0.08698834240393 ] - [ 0.23879114291427, 0.51224861943393 ] - # 2 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.00295515556175, 0.00000000000000 ] - [ -0.05196345208621, -0.09064359603492 ] - [ 0.08873475306393, -0.59500816190565 ] - # atom 2 - [ -0.04514225092038, 0.00550586334955 ] - [ 0.02529760691969, -0.11081571805741 ] - [ -0.78219207940022, 0.01880312088012 ] - # 3 frequency: 911.3759468011 eigenvector: - # atom 1 - [ -0.90113069038924, 0.00000000000000 ] - [ 0.00417021362401, -0.00955791505847 ] - [ -0.00954021789011, 0.00609065115274 ] - # atom 2 - [ -0.32510911036737, -0.28538410924608 ] - [ -0.00650206233512, -0.01109487985464 ] - [ 0.01691470789934, 0.01162405509501 ] - # 4 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.00742596636649, 0.00000000000000 ] - [ -0.40862948269919, -0.38596294189062 ] - [ 0.35431224571471, 0.07504240816686 ] - # atom 2 - [ 0.02130369412736, -0.00420154262703 ] - [ -0.39680315505633, -0.58878822007066 ] - [ 0.12855931302701, 0.17806619169913 ] - # 5 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.42893401993477, 0.00000000000000 ] - [ -0.07081549875049, -0.07657697448638 ] - [ -0.01400528140343, 0.00168439439698 ] - # atom 2 - [ -0.66962477568310, -0.58936805084609 ] - [ 0.05838479900113, 0.05592471010264 ] - [ 0.03837489545775, 0.03430340279821 ] - # 6 frequency: 911.3759468011 eigenvector: - # atom 1 - [ 0.06254102137804, 0.00000000000000 ] - [ 0.58159047789014, 0.42294707596092 ] - [ -0.09964987113987, 0.04749480739498 ] - # atom 2 - [ -0.09586595084408, -0.06951769561900 ] - [ -0.45148999005801, -0.48146481129755 ] - [ -0.07916915872735, -0.10406119445576 ] - q-position: [ 0.8333333, 0.5000000, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.1041221042, -0.0879034199, 0.0000000000, 0.0000000000, -0.6924177932, 0.0446001773, 0.1422194191, -0.0512503046, 0.0000000000, 0.0000000000, 0.6900573349, -0.0311113756 ] - [ -0.6865973810, 0.1000780328, -0.0000000000, 0.0000000000, -0.1200987358, -0.0643794802, -0.6892693335, 0.0453302214, 0.0000000000, 0.0000000000, 0.1470116304, 0.0352212639 ] - [ -0.0000000000, 0.0000000000, -0.1830127019, -0.6830127019, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, 0.1830127019, 0.6830127019, -0.0000000000, -0.0000000000 ] - [ 0.1118569671, 0.0778231503, 0.0000000000, 0.0000000000, -0.2222913751, -0.6572808538, -0.0863130871, -0.1241088550, -0.0000000000, -0.0000000000, -0.2086512616, -0.6584919849 ] - [ -0.2743724350, -0.6373000417, 0.0000000000, 0.0000000000, 0.0311019625, -0.1326691062, 0.2221816623, 0.6540507259, -0.0000000000, -0.0000000000, -0.0040282814, -0.1511182644 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.10412210420474, -0.08790341988253 ] - [ -0.68659738096516, 0.10007803275801 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.11185696706804, 0.07782315034362 ] - [ -0.27437243499680, -0.63730004166237 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189258, -0.68301270189212 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69241779322761, 0.04460017725011 ] - [ -0.12009873579749, -0.06437948020070 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.22229137511846, -0.65728085377324 ] - [ 0.03110196249172, -0.13266910620122 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.14221941911883, -0.05125030458022 ] - [ -0.68926933352403, 0.04533022136808 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.08631308705065, -0.12410885503399 ] - [ 0.22218166225231, 0.65405072591103 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.18301270189258, 0.68301270189212 ] - [ -0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.69005733487587, -0.03111137557149 ] - [ 0.14701163037259, 0.03522126387931 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.20865126163479, -0.65849198485946 ] - [ -0.00402828137651, -0.15111826442629 ] - q-position: [ 0.8333333, 0.5000000, 0.6666667 ] dynamical_matrix: - [ -0.0148090545, 0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0179605861, -0.1812121500, -0.6688254429, 0.0327572898, -0.1357617519, 0.0027942175, 0.1942578842, 0.0036398862, 0.6798752109, -0.0045081417, 0.0000000000, 0.0000000000 ] - [ -0.4365381067, 0.5254091238, -0.1506443094, -0.0949769588, -0.0399970945, -0.0081015946, 0.6798704886, -0.0051715050, -0.1941863766, 0.0064051115, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0148090545, -0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812 ] - [ 0.1812121500, 0.0179605861, -0.0327572898, -0.6688254429, -0.0027942175, -0.1357617519, 0.0036398862, -0.1942578842, -0.0045081417, -0.6798752109, 0.0000000000, 0.0000000000 ] - [ -0.5254091238, -0.4365381067, 0.0949769588, -0.1506443094, 0.0081015946, -0.0399970945, -0.0051715050, -0.6798704886, 0.0064051115, 0.1941863766, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.01480905452857, 0.00000000000000 ] - [ 0.01796058605244, -0.18121215002064 ] - [ -0.43653810665183, 0.52540912380577 ] - # atom 2 - [ 0.00000000000000, -0.01480905452857 ] - [ 0.18121215002064, 0.01796058605244 ] - [ -0.52540912380577, -0.43653810665183 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.14101473766073, 0.00000000000000 ] - [ -0.66882544290349, 0.03275728975493 ] - [ -0.15064430938648, -0.09497695881005 ] - # atom 2 - [ -0.00000000000000, -0.14101473766073 ] - [ -0.03275728975493, -0.66882544290349 ] - [ 0.09497695881005, -0.15064430938648 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.69274492828634, 0.00000000000000 ] - [ -0.13576175188505, 0.00279421751259 ] - [ -0.03999709454671, -0.00810159459420 ] - # atom 2 - [ 0.00000000000000, 0.69274492828634 ] - [ -0.00279421751259, -0.13576175188505 ] - [ 0.00810159459420, -0.03999709454671 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19425788415803, 0.00363988623126 ] - [ 0.67987048855418, -0.00517150498114 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00363988623126, -0.19425788415803 ] - [ -0.00517150498114, -0.67987048855418 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67987521085057, -0.00450814169741 ] - [ -0.19418637664807, 0.00640511152343 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00450814169741, -0.67987521085057 ] - [ 0.00640511152343, 0.19418637664807 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.5000000, 0.8333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1426704003, 0.0023786237, -0.6924301874, 0.0134139703, 0.0000000000, -0.0000000000, 0.3605894168, -0.0715833666, -0.0000000000, 0.0000000000, 0.6038743029, -0.0136718856 ] - [ -0.6925591367, 0.0011581205, 0.1426888639, -0.0006237684, -0.0000000000, 0.0000000000, -0.5967280214, 0.0936309918, 0.0000000000, -0.0000000000, 0.3675684875, 0.0065048333 ] - [ 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, -0.0000000000 ] - [ 0.0346282427, -0.1384246574, 0.1662572196, -0.6723079919, -0.0000000000, 0.0000000000, 0.0241831860, -0.3668297689, 0.0000000000, -0.0000000000, 0.1430881430, -0.5868363294 ] - [ 0.1781288360, -0.6692605000, -0.0363280815, 0.1379883019, 0.0000000000, -0.0000000000, -0.0640039835, 0.6006284910, 0.0000000000, -0.0000000000, 0.1014169115, -0.3533603203 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14267040028454, 0.00237862373192 ] - [ -0.69255913667266, 0.00115812046559 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03462824267221, -0.13842465740483 ] - [ 0.17812883596227, -0.66926049997779 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69243018740727, 0.01341397028960 ] - [ 0.14268886390028, -0.00062376843330 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.16625721956841, -0.67230799190042 ] - [ -0.03632808146194, 0.13798830191543 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.36058941676751, -0.07158336663590 ] - [ -0.59672802138680, 0.09363099181435 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.02418318595512, -0.36682976894020 ] - [ -0.06400398354608, 0.60062849102134 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.60387430288105, -0.01367188561464 ] - [ 0.36756848750547, 0.00650483332655 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.14308814302376, -0.58683632936480 ] - [ 0.10141691145139, -0.35336032026152 ] - q-position: [ 0.8333333, 0.6666667, 0.0000000 ] dynamical_matrix: - [ 0.6964823363, -0.0000000000, 0.0903813807, 0.0000000000, 0.0821191896, 0.0000000000, 0.0055656454, 0.0000000000, 0.3198011836, 0.0000000000, -0.6306316092, 0.0000000000 ] - [ -0.0555059111, 0.0003915001, -0.1892388823, -0.0008029544, 0.6790441839, -0.0024367112, -0.0742683641, -0.0120374354, 0.6273297146, -0.0025888591, 0.3174712954, -0.0014190794 ] - [ -0.1087005190, 0.0039361179, 0.6748882459, -0.0233465672, 0.1791379088, -0.0076881132, 0.6994573015, 0.0711886030, 0.0644794794, -0.0045085056, 0.0388714184, -0.0016580439 ] - [ -0.6946941413, -0.0498767953, -0.0901493296, -0.0064724307, -0.0819083514, -0.0058807550, 0.0055513558, 0.0003985694, 0.3189801049, 0.0229017411, -0.6290124838, -0.0451610645 ] - [ 0.0553914378, 0.0035844185, 0.1886955163, 0.0143527498, -0.6774752597, -0.0461975518, -0.0732156525, -0.0173250680, 0.6259044612, 0.0423423954, 0.3167578223, 0.0213194562 ] - [ 0.1087033090, 0.0038582967, -0.6748273976, -0.0250437643, -0.1792285427, -0.0051601274, 0.6925634793, 0.1210956685, 0.0646367956, 0.0001206023, 0.0388903539, 0.0011298899 ] band: - # 1 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.69648233625314, -0.00000000000000 ] - [ -0.05550591108538, 0.00039150005354 ] - [ -0.10870051897501, 0.00393611791280 ] - # atom 2 - [ -0.69469414133404, -0.04987679529390 ] - [ 0.05539143780156, 0.00358441850042 ] - [ 0.10870330904097, 0.00385829667137 ] - # 2 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.09038138073589, 0.00000000000000 ] - [ -0.18923888227864, -0.00080295439415 ] - [ 0.67488824594626, -0.02334656715709 ] - # atom 2 - [ -0.09014932958771, -0.00647243065717 ] - [ 0.18869551630935, 0.01435274979148 ] - [ -0.67482739762428, -0.02504376429539 ] - # 3 frequency: 530.2940797722 eigenvector: - # atom 1 - [ 0.08211918961878, 0.00000000000000 ] - [ 0.67904418390796, -0.00243671115178 ] - [ 0.17913790875056, -0.00768811318656 ] - # atom 2 - [ -0.08190835136777, -0.00588075504162 ] - [ -0.67747525967353, -0.04619755178303 ] - [ -0.17922854270647, -0.00516012744106 ] - # 4 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.00556564541497, 0.00000000000000 ] - [ -0.07426836411601, -0.01203743537188 ] - [ 0.69945730150895, 0.07118860300732 ] - # atom 2 - [ 0.00555135580799, 0.00039856941460 ] - [ -0.07321565254947, -0.01732506798129 ] - [ 0.69256347933685, 0.12109566846569 ] - # 5 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ 0.31980118364422, 0.00000000000000 ] - [ 0.62732971463262, -0.00258885912275 ] - [ 0.06447947940493, -0.00450850560919 ] - # atom 2 - [ 0.31898010488608, 0.02290174113701 ] - [ 0.62590446124122, 0.04234239543223 ] - [ 0.06463679557533, 0.00012060228621 ] - # 6 frequency: 1174.7341919660 eigenvector: - # atom 1 - [ -0.63063160920689, 0.00000000000000 ] - [ 0.31747129539902, -0.00141907937323 ] - [ 0.03887141843143, -0.00165804392469 ] - # atom 2 - [ -0.62901248380958, -0.04516106445353 ] - [ 0.31675782227828, 0.02131945623419 ] - [ 0.03889035393603, 0.00112988993169 ] - q-position: [ 0.8333333, 0.6666667, 0.1666667 ] dynamical_matrix: - [ -0.0794119373, 0.0000000000, -0.7023334139, 0.0000000000, 0.0205309523, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ 0.0105321591, -0.0000000000, -0.0218491831, 0.0000000000, -0.7066906585, -0.0000000000, -0.1210953336, -0.0000000000, 0.0000000000, -0.0000000000, -0.6966605487, -0.0000000000 ] - [ 0.7025544946, 0.0000000000, -0.0790594016, -0.0000000000, 0.0129148432, 0.0000000000, -0.6966605487, 0.0000000000, -0.0000000000, 0.0000000000, 0.1210953336, -0.0000000000 ] - [ 0.0794119373, -0.0000000000, 0.7023334139, -0.0000000000, -0.0205309523, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, -0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0105321591, 0.0000000000, 0.0218491831, -0.0000000000, 0.7066906585, -0.0000000000, -0.1210953336, 0.0000000000, -0.0000000000, 0.0000000000, -0.6966605487, 0.0000000000 ] - [ -0.7025544946, 0.0000000000, 0.0790594016, -0.0000000000, -0.0129148432, -0.0000000000, -0.6966605487, 0.0000000000, -0.0000000000, 0.0000000000, 0.1210953336, -0.0000000000 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.07941193731878, 0.00000000000000 ] - [ 0.01053215913167, -0.00000000000029 ] - [ 0.70255449456630, 0.00000000000087 ] - # atom 2 - [ 0.07941193731878, -0.00000000000012 ] - [ -0.01053215913167, 0.00000000000031 ] - [ -0.70255449456630, 0.00000000000023 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70233341385043, 0.00000000000000 ] - [ -0.02184918306157, 0.00000000000001 ] - [ -0.07905940164679, -0.00000000000009 ] - # atom 2 - [ 0.70233341385043, -0.00000000000110 ] - [ 0.02184918306157, -0.00000000000005 ] - [ 0.07905940164679, -0.00000000000003 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.02053095225469, 0.00000000000000 ] - [ -0.70669065850878, -0.00000000000063 ] - [ 0.01291484324134, 0.00000000000032 ] - # atom 2 - [ -0.02053095225469, 0.00000000000003 ] - [ 0.70669065850878, -0.00000000000048 ] - [ -0.01291484324134, -0.00000000000030 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.12109533364603, -0.00000000000009 ] - [ -0.69666054873888, 0.00000000000002 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.12109533364603, 0.00000000000010 ] - [ -0.69666054873888, 0.00000000000112 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70710678118655, -0.00000000000111 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.69666054873888, -0.00000000000040 ] - [ 0.12109533364603, -0.00000000000002 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69666054873888, 0.00000000000069 ] - [ 0.12109533364603, -0.00000000000021 ] - q-position: [ 0.8333333, 0.6666667, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.0119198905, -0.1620760969, 0.4229859323, -0.5428371359, 0.0000000000, 0.0000000000, 0.1681711664, -0.3654728857, 0.0000000000, 0.0000000000, 0.2737911903, 0.5130169712 ] - [ 0.6756446241, 0.1307424835, -0.0976122822, -0.1299330110, -0.0000000000, 0.0000000000, 0.4665775314, 0.3470640226, 0.0000000000, 0.0000000000, 0.3864242067, -0.1119299059 ] - [ -0.0000000000, -0.0000000000, -0.0000000000, -0.0000000000, 0.5000000000, -0.5000000000, 0.0000000000, -0.0000000000, -0.5000000000, 0.5000000000, 0.0000000000, 0.0000000000 ] - [ 0.1230337426, 0.1061764718, 0.0847475988, 0.6829400409, -0.0000000000, 0.0000000000, -0.1395133837, -0.3773433280, 0.0000000000, -0.0000000000, 0.5563573865, 0.1691581719 ] - [ -0.5702017920, 0.3853039987, 0.1608988198, 0.0228542065, -0.0000000000, 0.0000000000, 0.5753314603, -0.0845088125, 0.0000000000, -0.0000000000, 0.1940967815, -0.3523895725 ] band: - # 1 frequency: 789.2747223276 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.01191989045819, -0.16207609692165 ] - [ 0.67564462406632, 0.13074248348717 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.12303374257537, 0.10617647182775 ] - [ -0.57020179201308, 0.38530399868568 ] - # 2 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.42298593232329, -0.54283713586554 ] - [ -0.09761228221932, -0.12993301097807 ] - # atom 2 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.08474759875702, 0.68294004094285 ] - [ 0.16089881984692, 0.02285420647846 ] - # 3 frequency: 789.2747223276 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.50000000000079, -0.49999999999921 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 4 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.16817116635802, -0.36547288572548 ] - [ 0.46657753142144, 0.34706402259230 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.13951338370391, -0.37734332796833 ] - [ 0.57533146029841, -0.08450881253558 ] - # 5 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.50000000000079, 0.49999999999921 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1018.9492850530 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.27379119031881, 0.51301697117063 ] - [ 0.38642420674086, -0.11192990592073 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.55635738648184, 0.16915817187584 ] - [ 0.19409678150752, -0.35238957249491 ] - q-position: [ 0.8333333, 0.6666667, 0.5000000 ] dynamical_matrix: - [ -0.0148090545, 0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000 ] - [ 0.0179605861, -0.1812121500, -0.6688254429, 0.0327572898, -0.1357617519, 0.0027942175, 0.1942578842, 0.0036398862, 0.6798752109, -0.0045081417, 0.0000000000, 0.0000000000 ] - [ -0.4365381067, 0.5254091238, -0.1506443094, -0.0949769588, -0.0399970945, -0.0081015946, 0.6798704886, -0.0051715050, -0.1941863766, 0.0064051115, -0.0000000000, -0.0000000000 ] - [ 0.0000000000, -0.0148090545, -0.0000000000, -0.1410147377, 0.0000000000, 0.6927449283, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812 ] - [ 0.1812121500, 0.0179605861, -0.0327572898, -0.6688254429, -0.0027942175, -0.1357617519, 0.0036398862, -0.1942578842, -0.0045081417, -0.6798752109, 0.0000000000, 0.0000000000 ] - [ -0.5254091238, -0.4365381067, 0.0949769588, -0.1506443094, 0.0081015946, -0.0399970945, -0.0051715050, -0.6798704886, 0.0064051115, 0.1941863766, 0.0000000000, 0.0000000000 ] band: - # 1 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.01480905452857, 0.00000000000000 ] - [ 0.01796058605244, -0.18121215002064 ] - [ -0.43653810665183, 0.52540912380577 ] - # atom 2 - [ 0.00000000000000, -0.01480905452857 ] - [ 0.18121215002064, 0.01796058605244 ] - [ -0.52540912380577, -0.43653810665183 ] - # 2 frequency: 686.2529546263 eigenvector: - # atom 1 - [ -0.14101473766073, 0.00000000000000 ] - [ -0.66882544290349, 0.03275728975493 ] - [ -0.15064430938648, -0.09497695881005 ] - # atom 2 - [ -0.00000000000000, -0.14101473766073 ] - [ -0.03275728975493, -0.66882544290349 ] - [ 0.09497695881005, -0.15064430938648 ] - # 3 frequency: 686.2529546263 eigenvector: - # atom 1 - [ 0.69274492828634, 0.00000000000000 ] - [ -0.13576175188505, 0.00279421751259 ] - [ -0.03999709454671, -0.00810159459420 ] - # atom 2 - [ 0.00000000000000, 0.69274492828634 ] - [ -0.00279421751259, -0.13576175188505 ] - [ 0.00810159459420, -0.03999709454671 ] - # 4 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.19425788415803, 0.00363988623126 ] - [ 0.67987048855418, -0.00517150498114 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00363988623126, -0.19425788415803 ] - [ -0.00517150498114, -0.67987048855418 ] - # 5 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.67987521085057, -0.00450814169741 ] - [ -0.19418637664807, 0.00640511152343 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00450814169741, -0.67987521085057 ] - [ 0.00640511152343, 0.19418637664807 ] - # 6 frequency: 1090.9945531862 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000000, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - q-position: [ 0.8333333, 0.6666667, 0.6666667 ] dynamical_matrix: - [ 0.0028256597, 0.0000000000, -0.5579148296, 0.0000000000, -0.4344226727, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0960312765, -0.0307914561, -0.4286362745, -0.0377494565, 0.5498589216, 0.0482801123, -0.2585621152, -0.0239505017, 0.0000000000, 0.0000000000, -0.6516620251, 0.0889303721 ] - [ 0.6922568484, 0.1029677215, -0.0596014000, 0.0049637446, 0.0810468455, -0.0057050313, -0.6560821319, 0.0461328757, -0.0000000000, 0.0000000000, 0.2482093571, -0.0762896389 ] - [ 0.0002023524, 0.0028184049, -0.0399536389, -0.5564824020, -0.0311100650, -0.4333073072, -0.0000000000, 0.0000000000, -0.0506376377, -0.7052913084, 0.0000000000, 0.0000000000 ] - [ 0.0238353666, -0.0979897706, 0.0069568492, -0.4302390958, -0.0087794190, 0.5519046337, -0.0053727472, 0.2596134194, 0.0000000000, 0.0000000000, 0.1353691501, 0.6436203844 ] - [ -0.0531291575, 0.6978532714, -0.0092192016, -0.0590929096, 0.0114943457, 0.0804302093, 0.0929980694, 0.6510939757, 0.0000000000, 0.0000000000, -0.0938686440, -0.2421088012 ] band: - # 1 frequency: 530.2940797718 eigenvector: - # atom 1 - [ 0.00282565971223, 0.00000000000000 ] - [ -0.09603127652580, -0.03079145607859 ] - [ 0.69225684838923, 0.10296772148005 ] - # atom 2 - [ 0.00020235236948, 0.00281840492618 ] - [ 0.02383536660688, -0.09798977057495 ] - [ -0.05312915750245, 0.69785327142004 ] - # 2 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.55791482956628, 0.00000000000000 ] - [ -0.42863627452139, -0.03774945652376 ] - [ -0.05960140003875, 0.00496374455734 ] - # atom 2 - [ -0.03995363887571, -0.55648240204931 ] - [ 0.00695684917384, -0.43023909579789 ] - [ -0.00921920163345, -0.05909290962418 ] - # 3 frequency: 530.2940797718 eigenvector: - # atom 1 - [ -0.43442267274765, 0.00000000000000 ] - [ 0.54985892155562, 0.04828011229960 ] - [ 0.08104684548082, -0.00570503132536 ] - # atom 2 - [ -0.03111006495359, -0.43330730718025 ] - [ -0.00877941904337, 0.55190463366349 ] - [ 0.01149434571769, 0.08043020925832 ] - # 4 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ -0.25856211518688, -0.02395050169092 ] - [ -0.65608213193295, 0.04613287566536 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00537274719237, 0.25961341939270 ] - [ 0.09299806939365, 0.65109397566549 ] - # 5 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.05063763765529, -0.70529130836321 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7341919661 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.65166202511986, 0.08893037206446 ] - [ 0.24820935706439, -0.07628963892196 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.13536915005635, 0.64362038444401 ] - [ -0.09386864403157, -0.24210880118004 ] - q-position: [ 0.8333333, 0.6666667, 0.8333333 ] dynamical_matrix: - [ 0.1840362171, 0.0000000000, 0.0703235101, 0.0000000000, 0.6791062323, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.6238105410, 0.0166323309, -0.2612783394, -0.0620935092, 0.1961073773, 0.0019226480, -0.0854099937, -0.0098052672, 0.0000000000, -0.0000000000, 0.7017892297, -0.0100432474 ] - [ -0.2583602271, -0.0998220334, 0.5329660918, 0.3726657676, 0.0148247682, -0.0115391305, -0.7017548435, 0.0122118504, -0.0000000000, 0.0000000000, -0.0850561827, 0.0125082399 ] - [ 0.0000000000, 0.1840362171, 0.0000000000, 0.0703235101, 0.0000000000, 0.6791062323, 0.0000000000, 0.0000000000, -0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000 ] - [ -0.0166323309, -0.6238105410, 0.0620935092, -0.2612783394, -0.0019226480, 0.1961073773, -0.0098052672, 0.0854099937, 0.0000000000, 0.0000000000, -0.0100432474, -0.7017892297 ] - [ 0.0998220334, -0.2583602271, -0.3726657676, 0.5329660918, 0.0115391305, 0.0148247682, 0.0122118504, 0.7017548435, 0.0000000000, 0.0000000000, 0.0125082399, 0.0850561827 ] band: - # 1 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.18403621713012, 0.00000000000000 ] - [ -0.62381054099466, 0.01663233086190 ] - [ -0.25836022710823, -0.09982203337477 ] - # atom 2 - [ 0.00000000000010, 0.18403621713012 ] - [ -0.01663233086222, -0.62381054099465 ] - [ 0.09982203337464, -0.25836022710828 ] - # 2 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.07032351011272, 0.00000000000000 ] - [ -0.26127833937313, -0.06209350920679 ] - [ 0.53296609182924, 0.37266576764508 ] - # atom 2 - [ 0.00000000000004, 0.07032351011272 ] - [ 0.06209350920665, -0.26127833937316 ] - [ -0.37266576764480, 0.53296609182944 ] - # 3 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.67910623227140, 0.00000000000000 ] - [ 0.19610737728949, 0.00192264804343 ] - [ 0.01482476824239, -0.01153913054945 ] - # atom 2 - [ 0.00000000000036, 0.67910623227140 ] - [ -0.00192264804333, 0.19610737728949 ] - [ 0.01153913054946, 0.01482476824238 ] - # 4 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.08540999369080, -0.00980526716050 ] - [ -0.70175484353489, 0.01221185035020 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00980526716045, 0.08540999369081 ] - [ 0.01221185035056, 0.70175484353488 ] - # 5 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.00000000000037, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.70178922968033, -0.01004324740017 ] - [ -0.08505618272678, 0.01250823993613 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.01004324740053, -0.70178922968032 ] - [ 0.01250823993618, 0.08505618272678 ] - q-position: [ 0.8333333, 0.8333333, 0.0000000 ] dynamical_matrix: - [ 0.5634589196, -0.0000000000, 0.0322464827, 0.0000000000, 0.4259978993, 0.0000000000, -0.0076402511, 0.0000000000, 0.6907374729, 0.0000000000, -0.1510740549, 0.0000000000 ] - [ -0.4230515917, 0.0000000000, -0.0561008037, 0.0000000000, 0.5638085230, 0.0000000000, -0.1739696921, 0.0000000000, 0.1446019267, 0.0000000000, 0.6699438999, 0.0000000000 ] - [ 0.0595096348, 0.0000000000, -0.7041398044, 0.0000000000, -0.0254113988, 0.0000000000, 0.6853292441, 0.0000000000, 0.0444075029, 0.0000000000, 0.1683799302, 0.0000000000 ] - [ -0.5634589196, 0.0000000000, -0.0322464827, 0.0000000000, -0.4259978993, 0.0000000000, -0.0076402511, 0.0000000000, 0.6907374729, 0.0000000000, -0.1510740549, 0.0000000000 ] - [ 0.4230515917, 0.0000000000, 0.0561008037, 0.0000000000, -0.5638085230, 0.0000000000, -0.1739696921, 0.0000000000, 0.1446019267, 0.0000000000, 0.6699438999, 0.0000000000 ] - [ -0.0595096348, 0.0000000000, 0.7041398044, 0.0000000000, 0.0254113988, 0.0000000000, 0.6853292441, 0.0000000000, 0.0444075029, 0.0000000000, 0.1683799302, 0.0000000000 ] band: - # 1 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.56345891962305, -0.00000000000000 ] - [ -0.42305159172662, 0.00000000000000 ] - [ 0.05950963480646, 0.00000000000000 ] - # atom 2 - [ -0.56345891962305, 0.00000000000000 ] - [ 0.42305159172662, 0.00000000000000 ] - [ -0.05950963480646, 0.00000000000000 ] - # 2 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.03224648272699, 0.00000000000000 ] - [ -0.05610080368274, 0.00000000000000 ] - [ -0.70413980442657, 0.00000000000000 ] - # atom 2 - [ -0.03224648272699, 0.00000000000000 ] - [ 0.05610080368274, 0.00000000000000 ] - [ 0.70413980442657, 0.00000000000000 ] - # 3 frequency: 333.5867489280 eigenvector: - # atom 1 - [ 0.42599789934806, 0.00000000000000 ] - [ 0.56380852296123, 0.00000000000000 ] - [ -0.02541139876734, 0.00000000000000 ] - # atom 2 - [ -0.42599789934806, 0.00000000000000 ] - [ -0.56380852296123, 0.00000000000000 ] - [ 0.02541139876734, 0.00000000000000 ] - # 4 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.00764025110686, 0.00000000000000 ] - [ -0.17396969214647, 0.00000000000000 ] - [ 0.68532924406995, 0.00000000000000 ] - # atom 2 - [ -0.00764025110686, 0.00000000000000 ] - [ -0.17396969214647, 0.00000000000000 ] - [ 0.68532924406995, 0.00000000000000 ] - # 5 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ 0.69073747291356, 0.00000000000000 ] - [ 0.14460192667175, 0.00000000000000 ] - [ 0.04440750292241, 0.00000000000000 ] - # atom 2 - [ 0.69073747291356, 0.00000000000000 ] - [ 0.14460192667175, 0.00000000000000 ] - [ 0.04440750292241, 0.00000000000000 ] - # 6 frequency: 1244.9626957283 eigenvector: - # atom 1 - [ -0.15107405493998, 0.00000000000000 ] - [ 0.66994389990303, 0.00000000000000 ] - [ 0.16837993023727, 0.00000000000000 ] - # atom 2 - [ -0.15107405493998, 0.00000000000000 ] - [ 0.66994389990303, 0.00000000000000 ] - [ 0.16837993023727, 0.00000000000000 ] - q-position: [ 0.8333333, 0.8333333, 0.1666667 ] dynamical_matrix: - [ 0.0560684439, 0.0000000000, 0.6107834378, 0.0000000000, 0.3518521305, 0.0000000000, -0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.0508935026, -0.0007030580, 0.3555283060, 0.0039485463, -0.6090549493, -0.0067422849, 0.3796680307, -0.0001054721, 0.0000000000, -0.0000000000, 0.5963814879, 0.0134646303 ] - [ 0.7030400238, 0.0006415476, -0.0229699041, -0.0000906605, -0.0721573666, 0.0000551464, 0.5965198189, 0.0040349738, -0.0000000000, 0.0000000000, -0.3795015609, -0.0112423258 ] - [ -0.0559244901, 0.0040151977, -0.6092152719, 0.0437396886, -0.3509487620, 0.0251969874, 0.0000000000, -0.0000000000, 0.7052913084, -0.0506376377, 0.0000000000, -0.0000000000 ] - [ 0.0508131830, -0.0029433546, -0.3548982641, 0.0215218388, 0.6079740527, -0.0368909330, 0.3786856927, -0.0272941531, -0.0000000000, 0.0000000000, 0.5958145335, -0.0292782696 ] - [ -0.7012809351, 0.0497065068, 0.0229174221, -0.0015545030, 0.0719681558, -0.0052223694, 0.5952772287, -0.0386936220, -0.0000000000, 0.0000000000, -0.3793322938, 0.0159635690 ] band: - # 1 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.05606844391132, 0.00000000000000 ] - [ -0.05089350264158, -0.00070305804398 ] - [ 0.70304002383381, 0.00064154763954 ] - # atom 2 - [ -0.05592449007171, 0.00401519773567 ] - [ 0.05081318298696, -0.00294335462969 ] - [ -0.70128093506082, 0.04970650677574 ] - # 2 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.61078343779584, 0.00000000000000 ] - [ 0.35552830602206, 0.00394854630758 ] - [ -0.02296990409448, -0.00009066051586 ] - # atom 2 - [ -0.60921527190947, 0.04373968859025 ] - [ -0.35489826409320, 0.02152183878044 ] - [ 0.02291742206026, -0.00155450299151 ] - # 3 frequency: 530.2940797734 eigenvector: - # atom 1 - [ 0.35185213046343, 0.00000000000000 ] - [ -0.60905494932009, -0.00674228493205 ] - [ -0.07215736656655, 0.00005514635844 ] - # atom 2 - [ -0.35094876197979, 0.02519698744914 ] - [ 0.60797405270391, -0.03689093298069 ] - [ 0.07196815579544, -0.00522236941849 ] - # 4 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, -0.00000000000000 ] - [ 0.37966803066523, -0.00010547214470 ] - [ 0.59651981891044, 0.00403497378848 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.37868569267852, -0.02729415311332 ] - [ 0.59527722867859, -0.03869362199578 ] - # 5 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.70529130836319, -0.05063763765561 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1174.7341919654 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.59638148789043, 0.01346463025908 ] - [ -0.37950156092511, -0.01124232578216 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.59581453346988, -0.02927826962926 ] - [ -0.37933229377324, 0.01596356897183 ] - q-position: [ 0.8333333, 0.8333333, 0.3333333 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ 0.0092451825, 0.0018480995, 0.0000000000, 0.0000000000, 0.5634699436, -0.4270980377, -0.3508244422, 0.1283108962, 0.0000000000, 0.0000000000, 0.6002361551, 0.0132318852 ] - [ 0.7068525686, -0.0164486288, -0.0000000000, 0.0000000000, -0.0060855918, 0.0072010030, 0.5785994028, -0.1602537233, 0.0000000000, 0.0000000000, 0.3715928897, 0.0382125586 ] - [ 0.0000000000, 0.0000000000, 0.6123724357, -0.3535533906, 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, -0.6123724357, 0.3535533906, 0.0000000000, 0.0000000000 ] - [ -0.0089306127, 0.0030220902, -0.0000000000, 0.0000000000, -0.2744302666, 0.6516127223, -0.2396674311, 0.2865327168, 0.0000000000, -0.0000000000, 0.5264357012, -0.2886589288 ] - [ -0.6039279668, 0.3676712147, -0.0000000000, 0.0000000000, 0.0016697756, -0.0092790474, 0.4209549197, -0.4280834968, 0.0000000000, -0.0000000000, 0.3409151617, -0.1527033983 ] band: - # 1 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00924518253414, 0.00184809949630 ] - [ 0.70685256860257, -0.01644862876088 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00893061268534, 0.00302209015454 ] - [ -0.60392796675986, 0.36767121466531 ] - # 2 frequency: 686.2529546268 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ 0.61237243569598, -0.35355339059295 ] - [ -0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # 3 frequency: 686.2529546268 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.56346994360799, -0.42709803766650 ] - [ -0.00608559178909, 0.00720100301447 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.27443026660059, 0.65161272232952 ] - [ 0.00166977557918, -0.00927904743780 ] - # 4 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.35082444216081, 0.12831089619093 ] - [ 0.57859940275270, -0.16025372331231 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.23966743108445, 0.28653271676397 ] - [ 0.42095491974241, -0.42808349681563 ] - # 5 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.61237243569598, 0.35355339059295 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1090.9945531859 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.60023615512150, 0.01323188520934 ] - [ 0.37159288967979, 0.03821255864487 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.52643570120994, -0.28865892882923 ] - [ 0.34091516165088, -0.15270339830966 ] - q-position: [ 0.8333333, 0.8333333, 0.5000000 ] dynamical_matrix: - [ 0.0000000000, 0.0000000000, 0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000, -0.7071067812, 0.0000000000, 0.0000000000, 0.0000000000 ] - [ -0.1426704003, 0.0023786237, -0.6924301874, 0.0134139703, 0.0000000000, -0.0000000000, 0.3605894168, -0.0715833666, -0.0000000000, 0.0000000000, 0.6038743029, -0.0136718856 ] - [ -0.6925591367, 0.0011581205, 0.1426888639, -0.0006237684, -0.0000000000, 0.0000000000, -0.5967280214, 0.0936309918, 0.0000000000, -0.0000000000, 0.3675684875, 0.0065048333 ] - [ 0.0000000000, 0.0000000000, -0.0000000000, 0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, -0.0000000000, -0.1830127019, 0.6830127019, 0.0000000000, -0.0000000000 ] - [ 0.0346282427, -0.1384246574, 0.1662572196, -0.6723079919, -0.0000000000, 0.0000000000, 0.0241831860, -0.3668297689, 0.0000000000, -0.0000000000, 0.1430881430, -0.5868363294 ] - [ 0.1781288360, -0.6692605000, -0.0363280815, 0.1379883019, 0.0000000000, -0.0000000000, -0.0640039835, 0.6006284910, 0.0000000000, -0.0000000000, 0.1014169115, -0.3533603203 ] band: - # 1 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.14267040028454, 0.00237862373192 ] - [ -0.69255913667266, 0.00115812046559 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.03462824267221, -0.13842465740483 ] - [ 0.17812883596227, -0.66926049997779 ] - # 2 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.69243018740727, 0.01341397028960 ] - [ 0.14268886390028, -0.00062376843330 ] - # atom 2 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.16625721956841, -0.67230799190042 ] - [ -0.03632808146194, 0.13798830191543 ] - # 3 frequency: 644.4401121934 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 4 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.36058941676751, -0.07158336663590 ] - [ -0.59672802138680, 0.09363099181435 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.02418318595512, -0.36682976894020 ] - [ -0.06400398354608, 0.60062849102134 ] - # 5 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ -0.70710678118655, 0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.18301270189150, 0.68301270189241 ] - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - # 6 frequency: 1116.2030167543 eigenvector: - # atom 1 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.60387430288105, -0.01367188561464 ] - [ 0.36756848750547, 0.00650483332655 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.14308814302376, -0.58683632936480 ] - [ 0.10141691145139, -0.35336032026152 ] - q-position: [ 0.8333333, 0.8333333, 0.6666667 ] dynamical_matrix: - [ -0.4699777215, 0.0000000000, 0.1784434554, 0.0000000000, -0.4972714294, 0.0000000000, -0.0000000000, 0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.4508926248, 0.0242640891, 0.2031022309, 0.0762190514, 0.4990267643, 0.0044185317, 0.1574259520, 0.0086746636, 0.0000000000, 0.0000000000, -0.6892183320, 0.0109503729 ] - [ -0.2324247483, -0.1456254528, -0.4602652712, -0.4574428416, 0.0545036908, -0.0265186416, 0.6892206459, -0.0108037539, -0.0000000000, -0.0000000000, 0.1570738199, -0.0136380084 ] - [ -0.0000000000, -0.4699777215, 0.0000000000, 0.1784434554, -0.0000000000, -0.4972714294, 0.0000000000, -0.0000000000, -0.0000000000, -0.7071067812, 0.0000000000, -0.0000000000 ] - [ -0.0242640891, -0.4508926248, -0.0762190514, 0.2031022309, -0.0044185317, 0.4990267643, 0.0086746636, -0.1574259520, 0.0000000000, 0.0000000000, 0.0109503729, 0.6892183320 ] - [ 0.1456254528, -0.2324247483, 0.4574428416, -0.4602652712, 0.0265186416, 0.0545036908, -0.0108037539, -0.6892206459, 0.0000000000, 0.0000000000, -0.0136380084, -0.1570738199 ] band: - # 1 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.46997772152820, 0.00000000000000 ] - [ -0.45089262482615, 0.02426408911549 ] - [ -0.23242474827368, -0.14562545283659 ] - # atom 2 - [ -0.00000000000025, -0.46997772152820 ] - [ -0.02426408911573, -0.45089262482613 ] - [ 0.14562545283647, -0.23242474827375 ] - # 2 frequency: 455.6879734002 eigenvector: - # atom 1 - [ 0.17844345543516, 0.00000000000000 ] - [ 0.20310223090575, 0.07621905139917 ] - [ -0.46026527117638, -0.45744284163839 ] - # atom 2 - [ 0.00000000000009, 0.17844345543516 ] - [ -0.07621905139906, 0.20310223090579 ] - [ 0.45744284163815, -0.46026527117662 ] - # 3 frequency: 455.6879734002 eigenvector: - # atom 1 - [ -0.49727142938190, 0.00000000000000 ] - [ 0.49902676425132, 0.00441853172005 ] - [ 0.05450369076824, -0.02651864158328 ] - # atom 2 - [ -0.00000000000026, -0.49727142938190 ] - [ -0.00441853171979, 0.49902676425132 ] - [ 0.02651864158331, 0.05450369076823 ] - # 4 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ 0.15742595203656, 0.00867466356609 ] - [ 0.68922064590312, -0.01080375389812 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.00867466356601, -0.15742595203656 ] - [ -0.01080375389849, -0.68922064590311 ] - # 5 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - [ -0.00000000000000, -0.00000000000000 ] - # atom 2 - [ -0.00000000000037, -0.70710678118655 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1205.6370530611 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.68921833200377, 0.01095037293128 ] - [ 0.15707381987635, -0.01363800836094 ] - # atom 2 - [ 0.00000000000000, -0.00000000000000 ] - [ 0.01095037293164, 0.68921833200377 ] - [ -0.01363800836102, -0.15707381987634 ] - q-position: [ 0.8333333, 0.8333333, 0.8333333 ] dynamical_matrix: - [ 0.0590533721, -0.0000000000, 0.6880449318, 0.0000000000, -0.1520094442, 0.0000000000, 0.0000000000, -0.0000000000, 0.7071067812, 0.0000000000, -0.0000000000, 0.0000000000 ] - [ -0.2519600606, -0.0034930350, -0.1218355192, -0.0001415893, -0.6493504611, -0.0019978711, -0.0596337934, 0.0122451943, 0.0000000000, -0.0000000000, -0.7036590634, -0.0340262899 ] - [ -0.6571744472, 0.0337397659, 0.1082240298, -0.0061495914, 0.2345553478, -0.0147276918, -0.7042883198, -0.0164872230, -0.0000000000, 0.0000000000, 0.0586029485, 0.0164872230 ] - [ 0.0011358519, 0.0590424474, 0.0132340816, 0.6879176457, -0.0029237994, -0.1519813229, 0.0000000000, 0.0000000000, -0.0136007234, -0.7069759687, 0.0000000000, 0.0000000000 ] - [ -0.0013538935, -0.2519806350, -0.0022018612, -0.1218157033, -0.0104923180, -0.6492687610, 0.0133899449, 0.0593872332, 0.0000000000, 0.0000000000, -0.0204855862, 0.7041833615 ] - [ -0.0463738327, -0.6564039103, 0.0082300702, 0.1080857255, 0.0192364816, 0.2342286786, -0.0029376607, 0.7044751493, 0.0000000000, 0.0000000000, 0.0153569846, -0.0589092278 ] band: - # 1 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.05905337210312, -0.00000000000000 ] - [ -0.25196006064217, -0.00349303499455 ] - [ -0.65717444715194, 0.03373976587825 ] - # atom 2 - [ 0.00113585190018, 0.05904244741887 ] - [ -0.00135389353400, -0.25198063501900 ] - [ -0.04637383268400, -0.65640391028175 ] - # 2 frequency: 286.1955289702 eigenvector: - # atom 1 - [ 0.68804493175726, 0.00000000000000 ] - [ -0.12183551915407, -0.00014158926839 ] - [ 0.10822402983559, -0.00614959138765 ] - # atom 2 - [ 0.01323408156571, 0.68791764565387 ] - [ -0.00220186120411, -0.12181570334855 ] - [ 0.00823007016835, 0.10808572548266 ] - # 3 frequency: 286.1955289702 eigenvector: - # atom 1 - [ -0.15200944420135, 0.00000000000000 ] - [ -0.64935046106380, -0.00199787108891 ] - [ 0.23455534783202, -0.01472769175185 ] - # atom 2 - [ -0.00292379943586, -0.15198132294221 ] - [ -0.01049231795401, -0.64926876102013 ] - [ 0.01923648155787, 0.23422867859895 ] - # 4 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.00000000000000, -0.00000000000000 ] - [ -0.05963379338575, 0.01224519434429 ] - [ -0.70428831978007, -0.01648722303060 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ 0.01338994493587, 0.05938723324687 ] - [ -0.00293766073631, 0.70447514934971 ] - # 5 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ 0.70710678118655, 0.00000000000000 ] - [ 0.00000000000000, -0.00000000000000 ] - [ -0.00000000000000, 0.00000000000000 ] - # atom 2 - [ -0.01360072342076, -0.70697596870221 ] - [ 0.00000000000000, 0.00000000000000 ] - [ 0.00000000000000, 0.00000000000000 ] - # 6 frequency: 1256.7037646211 eigenvector: - # atom 1 - [ -0.00000000000000, 0.00000000000000 ] - [ -0.70365906339583, -0.03402628987715 ] - [ 0.05860294851663, 0.01648722303060 ] - # atom 2 - [ 0.00000000000000, 0.00000000000000 ] - [ -0.02048558623518, 0.70418336153199 ] - [ 0.01535698464189, -0.05890922780696 ]