QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:12:13 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 4.011697306360845E-02 -8.810034062066166E-02 -3.686957191531091E-01 1.664863201576531E+00 1.900251614168122E+00 1.825186743985639E+00 1.025692656038041E+01 1.029785549400363E+01 1.349470923569765E+01 5.085319618142434E+00 4.962114372763748E+00 1.637379978224788E+00 3.463417643738069E+00 1.820009494527206E-01 3.349245316037768E+00 4.987431053353928E+00 1.685243084617452E+00 5.146379094247592E+00 6.522373862298903E+00 3.023194287477686E+00 3.287097428385938E+00 8.241271371394218E+00 4.978670142031005E+00 5.033148660124317E+00 -6.852122864176281E-02 3.589907804852734E+00 3.419723186948805E+00 1.730588408502303E+00 5.149553893866057E+00 4.883323191167483E+00 3.527417472638565E+00 6.729199175121594E+00 3.471688516518556E+00 4.893448477479447E+00 8.190922061907404E+00 5.179136802521988E+00 3.427231410720584E+00 3.233956106799949E+00 6.609179071902640E+00 5.225630887229453E+00 4.875676788571084E+00 8.674152503135252E+00 6.604498953009743E+00 6.837163947034955E+00 6.690973161819642E+00 8.517005067613386E+00 8.343558228613210E+00 8.401205623481646E+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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