QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 11:30:41 1 Sep 2025 16 1 1 1 8 2 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material-modeling/Si.cif-QuantumEspresso-herculesd-20250901-113017 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 2.808500000000000e1 Si.pbe-n-rrkjus_psl.1.0.0.UPF 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 2.565747772250301e0 2.565747772250301e0 2.565747772250301e0 0.000000000000000e0 5.131495544500602e0 5.131495544500602e0 5.131495544500602e0 0.000000000000000e0 5.131495544500602e0 5.131495544500602e0 5.131495544500602e0 0.000000000000000e0 PBE false false false mp 0.000000000000000e0 smearing false 5.000000000000000e0 2.000000000000000e1 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 5.617000000000001e1 0.000000000000000e0 false false false false false false false false false

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