QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 15:48:33 30 Oct 2026 10 1 1 1 2 5 scf from_scratch Mn2O4 /usr/share/espresso/pseudo /var/lib/material-modelling/data/MnO2-Pyrolusite.cif-QuantumEspresso-farhi-20261030-154428 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 5.493804400000000e1 mn_pbe_v1.5.uspp.F.UPF 1.000000000000000e0 1.599900000000000e1 O.pbe-n-kjpaw_psl.0.1.UPF 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 4.153618021927443e0 4.153618021927443e0 2.712701851900293e0 2.508785285244176e0 2.508785285244176e0 0.000000000000000e0 5.798450758610710e0 5.798450758610710e0 0.000000000000000e0 6.662403307171618e0 1.644832736683267e0 2.712701851900293e0 1.644832736683267e0 6.662403307171618e0 2.712701851900293e0 8.307236043854886e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 8.307236043854886e0 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 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