QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 14:49:56 28 Sep 2023 8 1 1 1 1 8 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material_modeling/1000057.cif-QuantumEspresso-farhie-20230928-144655/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 1.389054700000000e2 La.paw.z_11.atompaw.wentzcovitch.v1.2.upf 1.081000000000000e1 B_pbe_v1.01.uspp.F.UPF 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.551479321263692e0 3.927795750034663e0 3.927795750034663e0 3.927795750034663e0 3.927795750034663e0 1.551479321263692e0 3.927795750034663e0 1.551479321263692e0 3.927795750034663e0 3.927795750034663e0 3.927795750034663e0 6.304112178805635e0 3.927795750034663e0 6.304112178805635e0 3.927795750034663e0 6.304112178805635e0 3.927795750034663e0 3.927795750034663e0 7.855591500069327e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 7.855591500069327e0 0.000000000000000e0 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