QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:10:58 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 1.593555695823672E-02 4.175733948220598E-02 -1.030277809680253E-01 1.818477057484118E+00 1.675848040364035E+00 1.686944300050530E+00 1.017789617760314E+01 1.013301534360152E+01 1.357136451018044E+01 5.082619108177600E+00 4.997622861196080E+00 1.719320401538873E+00 3.262260073121674E+00 1.025740558605734E-02 3.367186758546845E+00 5.035825613346852E+00 1.673018234157799E+00 4.877680841527092E+00 6.688806085643237E+00 3.379099109357304E+00 3.385430777594248E+00 8.328715116127640E+00 5.175081864871188E+00 4.973648144601887E+00 9.160042977872354E-02 3.410690554844928E+00 3.309266906224965E+00 1.852905837179778E+00 4.942707471394055E+00 5.142337289000000E+00 3.464867864765972E+00 6.677288648894802E+00 3.501895440155533E+00 5.031863834912102E+00 8.453093938656638E+00 5.080086655359618E+00 3.357636200760477E+00 3.446936816276528E+00 6.815626893343903E+00 4.890277479218581E+00 5.178732097829891E+00 8.268733617206710E+00 6.838214551923468E+00 6.847111281642601E+00 6.637571687188552E+00 8.387000019483853E+00 8.321342394305368E+00 8.405509249789386E+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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