QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 16:24:42 31 Jan 2025 32 1 1 1 1 32 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 1.838400000000000e2 W_pbe_v1.2.uspp.F.UPF 3.206000000000000e1 s_pbe_v1.4.uspp.F.UPF 3.014803260854021e0 1.740597439425331e0 2.012898756887796e1 -3.023561799401233e-8 3.481194930818130e0 6.709662522959321e0 3.014803260854021e0 1.740597439425331e0 3.737040477471531e0 -3.023561799401233e-8 3.481194930818130e0 1.715636552339018e1 3.014803260854021e0 1.740597439425331e0 9.682284568447113e0 -3.023561799401233e-8 3.481194930818130e0 2.310160961436576e1 6.029606461236805e0 0.000000000000000e0 0.000000000000000e0 -3.014803230618402e0 5.221792370253874e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 2.683865009183728e1 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 4.959200000000001e2 0.000000000000000e0 false false false false false false false false false

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