QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:10:43 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 -5.780380156488180E-02 -3.499470136927350E-03 -4.056318137896815E-02 1.619738968173623E+00 1.552285526500098E+00 1.677310930233692E+00 9.968804143032806E+00 1.018279449326281E+01 1.348909557818633E+01 4.917771149322089E+00 5.026273782925182E+00 1.614094788452662E+00 3.400484158092735E+00 1.266542111185218E-01 3.193148417708036E+00 5.066358195742697E+00 1.670032912470562E+00 5.118922250360771E+00 6.760797237092723E+00 3.299275733173385E+00 3.340180309790489E+00 8.350602801288408E+00 5.157157746258435E+00 5.057503465381417E+00 1.796364850404109E-01 3.364594921397631E+00 3.303391799016293E+00 1.542137987398210E+00 4.885117799076911E+00 4.905810652844308E+00 3.395566348127349E+00 6.788720623486004E+00 3.220925668987282E+00 5.140058670511963E+00 8.380173689654521E+00 5.069359735879376E+00 3.522659309352155E+00 3.455065571709248E+00 6.715280606243878E+00 4.971284345040412E+00 4.852172717801984E+00 8.357866203401326E+00 6.720704158862351E+00 6.647378128274662E+00 6.728251089263844E+00 8.433077794568444E+00 8.404570532913638E+00 8.364400001236067E+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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