QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 13: 1:59 28 Aug 2025 32 1 1 1 1 32 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material-modeling/SiC-4H.cif-QuantumEspresso-herculesd-20250828-121905 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 1.201100000000000e1 C.pbe-n-kjpaw_psl.1.0.0.UPF 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 9.498708365431435e0 -2.911123094985999e-6 3.361477085841596e0 3.166242454282722e0 2.911126006109093e0 1.680736021837175e0 1.266495081971416e1 2.911126006109093e0 1.680736021837175e0 6.324240029704248e0 -2.911123094985999e-6 3.361477085841596e0 1.582294839513568e1 -2.911123094985999e-6 3.361477085841596e0 7.826935693115500e-1 2.911126006109093e0 1.680736021837175e0 1.028140193474298e1 2.911126006109093e0 1.680736021837175e0 3.951462680019477e0 -2.911123094985999e-6 3.361477085841596e0 1.345017104545091e1 0.000000000000000e0 0.000000000000000e0 7.116432307381230e0 0.000000000000000e0 0.000000000000000e0 1.661514067281266e1 5.822246189971998e0 0.000000000000000e0 0.000000000000000e0 -2.911123094985999e0 5.042213107602918e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.899741673086287e1 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 2.405760000000000e2 0.000000000000000e0 false false false false false false false false false

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