QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13: 9:16 3 Mar 2026 8 1 1 1 1 8 scf from_scratch diamond ../../../../pseudos ./ false true true low 10000000 1 5.000000000000000E-05 5.000000000000000E-04 5.000000000000000E-01 low 100000 false false 1.201100000000000E+01 C.upf -1.441536295052301E-01 1.192969080346112E-01 -5.214303768708799E-02 1.926878069506999E+00 1.631849597498482E+00 1.702600839727005E+00 1.025668788581967E+01 1.030052791948905E+01 1.367609000837134E+01 5.169663867939425E+00 5.152249691676249E+00 1.741148951489464E+00 3.443871000494157E+00 -5.207950229317485E-02 3.293017947488968E+00 5.055170966406492E+00 1.669083152470510E+00 5.012665962232330E+00 6.806452152729255E+00 3.460589797942929E+00 3.378679777731140E+00 8.565422703504121E+00 4.947615819342944E+00 5.037191639479083E+00 -6.772989318635886E-02 3.193964387513725E+00 3.362514345022551E+00 1.673659796467595E+00 5.198490082090838E+00 5.115092872325793E+00 3.273554907857381E+00 6.915839432938122E+00 3.485697501092371E+00 5.110490068197896E+00 8.404416698153817E+00 4.964835937043873E+00 3.335158094247319E+00 3.473198372926574E+00 6.918720673751573E+00 5.201305186777681E+00 5.009300230332811E+00 8.320027828549868E+00 6.753964896272531E+00 6.573559772061169E+00 6.771187998781826E+00 8.411869920892764E+00 8.381782276482280E+00 8.275138741926243E+00 0.000000000000000E+00 6.740653075229095E+00 6.740653075229095E+00 6.740653075229095E+00 0.000000000000000E+00 6.740653075229095E+00 6.740653075229095E+00 6.740653075229095E+00 0.000000000000000E+00 PBE false false false 0.000000000000000E+00 fixed false 3.000000000000000E+01 1.200000000000000E+02 davidson plain 7.000000000000000E-01 5.000000000000000E-11 8 100 100 false false false false 0.000000000000000E+00 false 20 20 4 16 false Monkhorst-Pack none 1.000000000000000E+02 false false none 0.000000000000000E+00 1.921760000000000E+02 all false false false false false false

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