QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 10:15:27 4 Nov 2026 10 1 1 1 2 5 scf from_scratch VZn3 /usr/share/espresso/pseudo /var/lib/material-modelling/data/VZn3.cif-QuantumEspresso-lakhdar-20261104-101256 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 5.094150000000000e1 v_pbe_v1.4.uspp.F.UPF 1.000000000000000e0 6.538000000000000e1 Zn_pbe_v1.uspp.F.UPF 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 3.576761321165332e0 3.576761321165332e0 3.576761321165332e0 3.576761321165332e0 0.000000000000000e0 3.576761321165332e0 0.000000000000000e0 3.576761321165332e0 7.153522642330665e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 7.153522642330665e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 7.153522642330665e0 PBE true false false mv 0.000000000000000e0 smearing false 1.500000000000000e1 6.000000000000000e1 davidson plain 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0.000000000000000e0 0.000000000000000e0 1.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 3 4 2 crystal_symmetry 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 3 4 2 crystal_symmetry 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 3 4 2 crystal_symmetry 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 3 4 2 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1.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 4 3 2 crystal_symmetry 0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 3 2 4 crystal_symmetry 0.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 1 3 2 4 crystal_symmetry 0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0 1.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 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