QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:11:43 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 -2.946586149559492E-02 1.714011974212695E-01 8.973277141668813E-02 1.240640931991619E+00 1.784321095246704E+00 1.714603114725362E+00 1.010815125878304E+01 1.005224413528478E+01 1.365124736409408E+01 5.198735046921172E+00 4.938647637016052E+00 1.746700655995407E+00 3.223433328624971E+00 -2.085680386938313E-01 3.275580624807267E+00 5.185864804159829E+00 1.829254892426698E+00 5.133057080089685E+00 6.850271671146846E+00 3.448361385014422E+00 3.273348575462391E+00 8.491113569244623E+00 5.176494189435213E+00 5.169522128755775E+00 1.797376523410507E-01 3.477406560174361E+00 3.423457806264687E+00 1.846946537542514E+00 5.051480373113438E+00 4.922169681281681E+00 3.345674385514366E+00 6.628040116365916E+00 3.268254375790743E+00 5.033641749850330E+00 8.306019814124548E+00 5.008932770660917E+00 3.084053489605949E+00 3.402571872846384E+00 6.740835316691769E+00 4.931963908048274E+00 5.155153307224781E+00 8.567556406417301E+00 6.497625245831509E+00 6.625345800225417E+00 6.624375604068406E+00 8.283723588691789E+00 8.551214766107934E+00 8.396514078642534E+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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