QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 13:26:34 9 Oct 2023 8 1 1 1 1 8 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material_modeling/La3Ni2O7.cif-QuantumEspresso-farhie-20231009-090749/ 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 5.869340000000000e1 ni_pbe_v1.4.uspp.F.UPF 1.599900000000000e1 O.pbe-n-kjpaw_psl.0.1.UPF 6.920683118516429e0 2.503215018726140e0 7.734301318486346e0 3.146528585648436e1 8.091103641431825e0 2.578100439495449e0 6.920683118516429e0 8.091103641431825e0 2.578100439495449e0 3.146528585648436e1 2.503215018726140e0 7.734301318486346e0 2.611366760601682e1 7.800374348805123e0 7.734301318486346e0 1.227230136898396e1 2.793944311352842e0 2.578100439495449e0 2.611366760601682e1 2.793944311352842e0 2.578100439495449e0 1.227230136898396e1 7.800374348805123e0 7.734301318486346e0 0.000000000000000e0 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