QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:10:29 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 3.470362150683633E-02 1.736831855011133E-01 -2.111447520689238E-02 1.652157615093604E+00 1.683328381983843E+00 1.656516931052554E+00 1.018656316823192E+01 9.958260393985082E+00 1.338174759089923E+01 4.954597052743530E+00 5.145280860416738E+00 1.846792807498739E+00 3.360457516783874E+00 -1.595134100629075E-02 3.376945507739657E+00 5.165271395341620E+00 1.597541096735572E+00 5.078012411086631E+00 6.832795896962411E+00 3.417673074732857E+00 3.388239404270824E+00 8.520401491526332E+00 4.800071372597777E+00 5.119539741340071E+00 -6.180119519058758E-02 3.197356797414949E+00 3.418628182895131E+00 1.814955190549954E+00 5.042502804002478E+00 5.145523402541766E+00 3.522664754573041E+00 6.864894484752549E+00 3.525280728086573E+00 5.125610691685409E+00 8.432943789926945E+00 4.904125974396973E+00 3.347077002048277E+00 3.290651281714178E+00 6.945777433306724E+00 5.038871005712099E+00 5.067130973506120E+00 8.477924160072050E+00 6.744772909319513E+00 6.900812186645895E+00 6.681821237061892E+00 8.444204083614986E+00 8.355663041024092E+00 8.301092293014868E+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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