QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:12:44 3 Mar 2026 8 1 1 1 1 8 scf from_scratch diamond ../../../../pseudos ./ false true true low 10000000 1 5.000000000000000E-05 5.000000000000000E-04 5.000000000000000E-01 low 100000 false false 1.201100000000000E+01 C.upf -1.680280907282567E-01 3.726612151389188E-02 7.532021219430127E-02 1.857528822445505E+00 1.924106390520419E+00 1.531703268002798E+00 9.988395723265103E+00 9.920861394462445E+00 1.344592747520120E+01 5.125992974592670E+00 5.204753152548375E+00 1.673681138136925E+00 3.321972600046050E+00 2.294248336911668E-02 3.244071229103582E+00 5.371382278754409E+00 1.442120145811552E+00 5.083418534229930E+00 7.046577997789389E+00 3.371354525124693E+00 3.341596799329901E+00 8.371778427834814E+00 5.028218536569815E+00 5.263034416288959E+00 -3.343850584692535E-01 3.602148115283323E+00 3.155055415468579E+00 1.644851279058249E+00 4.990597454941020E+00 5.144466165443802E+00 3.128725150964261E+00 6.810523456004915E+00 3.676357799457254E+00 4.849407764457045E+00 8.454495760063111E+00 4.955412605356718E+00 3.434711351878193E+00 3.373221262025972E+00 6.643674309739386E+00 5.129245406467636E+00 5.328267706840938E+00 8.396955873481589E+00 6.849464705984121E+00 6.545138539979729E+00 6.596060850848080E+00 8.497233822694826E+00 8.650182170149531E+00 8.479577290780050E+00 0.000000000000000E+00 6.740653075229095E+00 6.740653075229095E+00 6.740653075229095E+00 0.000000000000000E+00 6.740653075229095E+00 6.740653075229095E+00 6.740653075229095E+00 0.000000000000000E+00 PBE false false false 0.000000000000000E+00 fixed false 3.000000000000000E+01 1.200000000000000E+02 davidson plain 7.000000000000000E-01 5.000000000000000E-11 8 100 100 false false false false 0.000000000000000E+00 false 20 20 4 16 false Monkhorst-Pack none 1.000000000000000E+02 false false none 0.000000000000000E+00 1.921760000000000E+02 all false false false false false false

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0.000000000000000E+00 lattice_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 lattice_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 lattice_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 lattice_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 lattice_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 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