QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13: 3:14 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 5.595862227649496E-03 4.933229667660298E-03 9.663032883055831E-05 1.680730214471624E+00 1.658416638179928E+00 1.677214224267993E+00 1.010450324709871E+01 1.009581876971943E+01 1.347825829223398E+01 5.063125261004531E+00 5.091133554092965E+00 1.688462311334342E+00 3.375193534622707E+00 -1.406823914747596E-03 3.334067016745393E+00 5.054988766796533E+00 1.686301454819197E+00 5.102038336058241E+00 6.737017979829153E+00 3.376024956506027E+00 3.369670580235670E+00 8.403731529885212E+00 5.077086027671443E+00 5.069699281360974E+00 1.494833732906957E-02 3.353141605334014E+00 3.396835508135965E+00 1.658672123086851E+00 5.066579798217685E+00 5.096883418558702E+00 3.351608113931455E+00 6.729951599105579E+00 3.372209675488672E+00 5.045975495472786E+00 8.396513052121957E+00 5.056785458868705E+00 3.350251906847892E+00 3.379276137484299E+00 6.723278475308394E+00 5.084779321735552E+00 5.040688464354561E+00 8.419730263432399E+00 6.756026322587038E+00 6.717393110719866E+00 6.744951445027271E+00 8.450517762107156E+00 8.395439313453643E+00 8.429305418286500E+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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