QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:11:28 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 -2.992267643078811E-01 1.130676437991851E-01 -1.621752413852215E-01 1.721332152698170E+00 1.998719124738116E+00 1.546172462542838E+00 9.728455578719760E+00 1.006774204093059E+01 1.364774712492953E+01 5.351549033551528E+00 4.869608847522904E+00 1.760253308541155E+00 3.299981791629118E+00 -1.601706981545522E-02 3.770093313369640E+00 4.828273623280215E+00 1.723523146120481E+00 5.126194766706190E+00 6.904800177673959E+00 3.385139443582228E+00 3.416897029714223E+00 8.366607661772429E+00 5.096175903286064E+00 5.003606653805170E+00 9.396805092649679E-02 3.314449553072610E+00 3.427335854794238E+00 1.680739372531852E+00 5.225723932258839E+00 5.047720201464692E+00 3.102282876063878E+00 6.931427957079321E+00 3.233399658574981E+00 4.956654660221925E+00 8.335765407485280E+00 5.263274731780798E+00 3.047459389687493E+00 3.844685366940150E+00 6.900305726254808E+00 5.089238639010454E+00 5.047191036268968E+00 8.468985863583219E+00 6.819435368458660E+00 6.838195534963829E+00 6.824648297036403E+00 8.439358980308681E+00 8.395983098627079E+00 8.402947137990022E+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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