QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 11:40:58 22 Jan 2024 32 1 1 1 1 32 scf from_scratch pwscf /usr/share/espresso/pseudo /var/www/html/data/material_modeling/OLSN88.cif-QuantumEspresso-tburrow-20240122-110152/ true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 2.380289100000000e2 U.paw.z_14.ld1.uni-marburg.v0.upf 3.097376199800000e1 P.pbe-n-rrkjus_psl.1.0.0.UPF 1.201100000000000e1 C.pbe-n-kjpaw_psl.1.0.0.UPF 3.545000000000000e1 Cl.pbe-n-rrkjus_psl.1.0.0.UPF 1.599900000000000e1 O.pbe-n-kjpaw_psl.0.1.UPF 1.008000000000000e0 H_ONCV_PBE-1.0.oncvpsp.upf 6.231608111719056e0 6.231608111719056e0 9.471760205710675e0 1.869482433515717e1 1.869482433515717e1 4.725374223377812e0 6.231608111719056e0 1.869482433515717e1 7.098567214544244e0 1.869482433515717e1 6.231608111719056e0 7.098567214544244e0 6.381166706400314e0 1.597784319844766e1 5.058438997084227e0 2.141180547186667e1 6.381166706400314e0 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