QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:11:58 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 -3.998884840837708E-02 -3.029400843059560E-01 9.606128397645196E-02 1.497814552006456E+00 1.694223769359374E+00 1.727096584416231E+00 1.031668138011697E+01 9.913114645125324E+00 1.302482207086518E+01 5.083283829396351E+00 5.327687647355268E+00 1.872464811707019E+00 3.402022447505636E+00 -7.432461937980926E-02 3.492345789937435E+00 4.908310951702319E+00 1.757178126405635E+00 5.131905819495878E+00 6.900933583745139E+00 3.787526670565581E+00 3.429651233912407E+00 8.348872195367642E+00 5.051623530759676E+00 4.788044290560344E+00 -1.050254040555092E-01 3.308452000465067E+00 3.291095854774064E+00 1.708195987324097E+00 4.931157932103352E+00 5.224965081223921E+00 3.370357841295057E+00 6.739247070445249E+00 3.320756040743929E+00 5.078951237551915E+00 8.550553123520700E+00 4.924398716880569E+00 3.270833743985531E+00 3.324409816785366E+00 6.537186880013130E+00 4.931635968205219E+00 4.983495644475339E+00 8.558004830044105E+00 6.780346595384064E+00 6.769919628218277E+00 6.869290203696060E+00 8.405048739486622E+00 8.484846074148262E+00 8.410211476608833E+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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0.000000000000000E+00 lattice_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 lattice_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 lattice_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 lattice_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 lattice_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 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