QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 11: 5:29 5 Feb 2025 32 1 1 1 1 32 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material-modeling/Sr3BiSb_mp-1013585_computed.cif-QuantumEspresso-bertran-20250205-105813/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 8.762000000000000e1 Sr_pbe_v1.uspp.F.UPF 2.089804000000000e2 Bi_pbe_v1.uspp.F.UPF 1.217600000000000e2 sb_pbe_v1.4.uspp.F.UPF 0.000000000000000e0 5.824047098968767e0 5.824047098968767e0 5.824047098968767e0 0.000000000000000e0 5.824047098968767e0 5.824047098968767e0 5.824047098968767e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 5.824047098968767e0 5.824047098968767e0 5.824047098968767e0 1.164809419793753e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.164809419793753e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.164809419793753e1 PBE false false false mp 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true 7 3.651262614490652e-6 false false true false 8.762000000000000e1 Sr_pbe_v1.uspp.F.UPF 2.089804000000000e2 Bi_pbe_v1.uspp.F.UPF 1.217600000000000e2 sb_pbe_v1.4.uspp.F.UPF 0.000000000000000e0 5.824047098968767e0 5.824047098968767e0 5.824047098968767e0 0.000000000000000e0 5.824047098968767e0 5.824047098968767e0 5.824047098968767e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 5.824047098968767e0 5.824047098968767e0 5.824047098968767e0 1.164809419793753e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.164809419793753e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.164809419793753e1 48 48 0 crystal_symmetry 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 2 3 4 5 crystal_symmetry -1.000000000000000e0 0.000000000000000e0 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