QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 17:18:18 28 Sep 2023 8 1 1 1 1 8 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 9.595000000000001e1 Mo_ONCV_PBE-1.0.oncvpsp.upf 3.206000000000000e1 s_pbe_v1.4.uspp.F.UPF -2.986712139971029e-5 3.448775359743395e0 5.808545675568461e0 2.986712139971030e0 1.724413545592514e0 1.742563702670538e1 -2.986712139971029e-5 3.448775359743395e0 1.457944964567684e1 2.986712139971030e0 1.724413545592514e0 2.962358294539915e0 0.000000000000000e0 3.448723628490733e0 2.027182440773393e1 2.986742007092430e0 1.724361814150880e0 8.654733056597006e0 5.973424279942059e0 0.000000000000000e0 0.000000000000000e0 -2.986712139971030e0 5.173137174012591e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 2.323418270227385e1 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 3.201400000000000e2 0.000000000000000e0 false false false false false false false false false

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