QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 8:41:52 7 Feb 2025 32 1 1 1 1 32 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material-modeling/BiSbTe3_mp-1227340_computed.cif-QuantumEspresso-bertran-20250207-083037/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 2.089804000000000e2 Bi_pbe_v1.uspp.F.UPF 1.217600000000000e2 sb_pbe_v1.4.uspp.F.UPF 1.276000000000000e2 Te_pbe_v1.uspp.F.UPF 3.435792257186359e1 7.216078147023531e0 4.288748499821564e0 2.276005956992681e1 4.780218249352544e0 2.841038224292657e0 1.143695763026610e-1 2.402065477897159e-2 1.427625159274819e-2 1.210633083852569e1 2.542651675804378e0 1.511180081121416e0 4.485965339416589e1 9.421721114543438e0 5.599633411921748e0 2.016917850976090e1 0.000000000000000e0 0.000000000000000e0 1.846498023142596e1 8.114201551086177e0 0.000000000000000e0 1.846498068449319e1 3.878137373576674e0 7.127434670669826e0 PBE false false false 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