QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 13:59:18 8 Oct 2026 48 1 1 1 16 3 scf from_scratch Fe2S16Ta8 /usr/share/espresso/pseudo /var/lib/material-modelling/data/Ta4FeS8.cif-QuantumEspresso-salame-20261008-120654 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 1.809478800000000e2 Ta_pbe_v1.uspp.F.UPF 5.584500000000000e1 Fe.pbe-spn-kjpaw_psl.0.2.1.UPF 3.206000000000000e1 s_pbe_v1.4.uspp.F.UPF -3.025366130692012e0 5.522686548260486e0 1.741505274154608e1 9.320836043909157e0 5.381387198894313e0 5.805017580515361e0 6.295469913217146e0 1.412993491772004e-1 5.805017580515361e0 0.000000000000000e0 1.076277439797760e1 1.741505274154608e1 3.025366130692012e0 5.522686548260486e0 1.741505274154608e1 3.270103782525132e0 5.381387198894313e0 5.805017580515361e0 0.000000000000000e0 0.000000000000000e0 5.805017580515361e0 0.000000000000000e0 0.000000000000000e0 1.741505274154608e1 0.000000000000000e0 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