QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 21:49:35 19 Sep 2026 32 1 1 1 1 32 scf from_scratch pwscf /usr/share/espresso/pseudo /var/lib/material-modelling/data/1011127.cif-QuantumEspresso-farhie-20260919-214350 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 3.909830000000000e1 K.pbe-spn-kjpaw_psl.1.0.0.UPF 3.545000000000000e1 cl_pbe_v1.4.uspp.F.UPF 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 5.930905442137980e0 5.930905442137980e0 5.930905442137980e0 0.000000000000000e0 5.930905442137980e0 5.930905442137980e0 5.930905442137980e0 0.000000000000000e0 5.930905442137980e0 5.930905442137980e0 5.930905442137980e0 5.930905442137980e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 5.930905442137980e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 5.930905442137980e0 1.186181088427596e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.186181088427596e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.186181088427596e1 PBE false false false mp 0.000000000000000e0 smearing false 1.000000000000000e1 4.000000000000000e1 davidson plain 7.000000000000000e-1 5.000000000000000e-6 8 100 false false false false 0.000000000000000e0 false 20 20 Monkhorst-Pack none 1.000000000000000e2 false false none 0.000000000000000e0 2.981932000000000e2 0.000000000000000e0 false false false false false false false false false

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