QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 4:51:25 8 Aug 2026 48 1 1 1 3 16 scf from_scratch pwscf /usr/share/espresso/pseudo /var/lib/material-modelling/data/La2CuO4.cif-QuantumEspresso-farhie-20260807-105815 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 1.389054700000000e2 La.paw.z_11.atompaw.wentzcovitch.v1.2.upf 6.354600000000000e1 Cu.paw.z_11.ld1.psl.v1.0.0-low.upf 1.599900000000000e1 O.pbe-n-kjpaw_psl.0.1.UPF 0.000000000000000e0 0.000000000000000e0 9.019236768256951e0 3.603522526501131e0 3.584625265254873e0 3.476484634250849e0 3.603522526501131e0 3.603522526501131e0 2.151495817076475e1 0.000000000000000e0 0.000000000000000e0 1.597220603675865e1 0.000000000000000e0 0.000000000000000e0 0.000000000000000e0 3.603522526501131e0 3.603522526501131e0 1.249572140250780e1 0.000000000000000e0 3.603522526501131e0 0.000000000000000e0 3.603522526501131e0 0.000000000000000e0 0.000000000000000e0 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