QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 16:32:37 3 Oct 2023 8 1 1 1 1 8 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material_modeling/7221526.cif-QuantumEspresso-com-ailes-20231003-163204/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 7.263000000000000e1 ge_pbe_v1.4.uspp.F.UPF 1.956565737653784e0 4.125558612538549e0 3.391149435437312e0 1.464629209329404e0 7.546753559521738e0 1.051519204786764e-1 9.223809906082122e0 7.054817031197357e0 9.963144465354585e0 9.715746434406503e0 3.633622084214170e0 6.677146950395947e0 7.546753559521738e0 1.464629209329404e0 1.303883813935587e1 4.125558612538549e0 1.956565737653784e0 9.752840624397232e0 3.633622084214170e0 9.715746434406503e0 6.466843109438596e0 7.054817031197357e0 9.223809906082122e0 3.180845594479960e0 1.006233807936232e0 1.006233807936232e0 0.000000000000000e0 4.583954013931722e0 6.596421629804185e0 9.857992544875907e0 1.017414183579967e1 1.017414183579967e1 6.571995029917272e0 6.596421629804185e0 4.583954013931722e0 3.285997514958636e0 1.118037564373591e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.118037564373591e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.314399005983454e1 PBE false false false mp 0.000000000000000e0 smearing false 5.000000000000000e0 2.000000000000000e1 davidson plain 7.000000000000000e-1 5.000000000000000e-6 8 100 false false false false 0.000000000000000e0 false 20 20 25 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 2.500000000000000e-1 0.000000000000000e0 0.000000000000000e0 5.000000000000000e-1 0.000000000000000e0 2.500000000000000e-1 5.000000000000000e-1 0.000000000000000e0 5.000000000000000e-1 5.000000000000000e-1 0.000000000000000e0 3.333333333333300e-1 3.333333333333300e-1 0.000000000000000e0 1.666666666666700e-1 1.666666666666700e-1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 2.126518582416793e-1 0.000000000000000e0 0.000000000000000e0 4.253037164833586e-1 0.000000000000000e0 2.500000000000000e-1 4.253037164833586e-1 0.000000000000000e0 5.000000000000000e-1 4.253037164833586e-1 2.500000000000000e-1 5.000000000000000e-1 4.253037164833586e-1 5.000000000000000e-1 5.000000000000000e-1 4.253037164833586e-1 3.750000000000000e-1 3.750000000000000e-1 4.253037164833586e-1 2.500000000000000e-1 2.500000000000000e-1 4.253037164833586e-1 1.250000000000000e-1 1.250000000000000e-1 4.253037164833586e-1 0.000000000000000e0 0.000000000000000e0 4.253037164833586e-1 0.000000000000000e0 5.000000000000000e-1 0.000000000000000e0 0.000000000000000e0 5.000000000000000e-1 2.126518582416793e-1 0.000000000000000e0 5.000000000000000e-1 4.253037164833586e-1 5.000000000000000e-1 5.000000000000000e-1 0.000000000000000e0 5.000000000000000e-1 5.000000000000000e-1 1.417679054944557e-1 5.000000000000000e-1 5.000000000000000e-1 2.835358109889028e-1 5.000000000000000e-1 5.000000000000000e-1 4.253037164833586e-1 none 1.000000000000000e2 false false none 0.000000000000000e0 8.715600000000000e2 0.000000000000000e0 false false false false false false false false false

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