QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 14: 1:42 14 Sep 2023 8 1 1 1 1 8 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material_modeling/de0b4a0c-052f-4ef3-88ae-d76423f7c674.xyz-QuantumEspresso-paveldudin-20230914-135908/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 1.201100000000000e1 C.pbe-n-kjpaw_psl.1.0.0.UPF 2.668615227383357e0 5.917817264005400e0 2.923428689531328e1 -4.905754374550831e0 9.792655929300569e0 2.923428689531328e1 2.237139146033639e0 1.441483308981391e1 2.923428689531328e1 -2.668615227761302e0 5.917817264194372e0 2.923428689531328e1 -2.237139146789529e0 1.441483308981391e1 2.923428689531328e1 4.905754374172886e0 9.792655929300569e0 2.923428689531328e1 1.020279713044875e1 8.620770639603780e0 2.430535351692918e1 1.106083465482587e1 1.916386317108221e0 2.430535351692918e1 4.825648752603007e0 4.525496185131400e0 2.430535351692918e1 7.190056561406678e0 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