QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:13:31 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 3.017011988149384E-01 4.701515464712396E-01 9.172323307256920E-02 1.657467953947663E+00 1.765968811685260E+00 1.819357320414013E+00 1.006250169377581E+01 1.038237623626139E+01 1.351608780833042E+01 5.130737655797756E+00 5.156162962740232E+00 1.748897927250813E+00 3.497155959856362E+00 -9.331515761258463E-02 3.285923544967314E+00 4.889170591083466E+00 1.751606225278582E+00 5.173247939028965E+00 6.809858302656377E+00 3.623473104927927E+00 3.369480542176394E+00 8.526915430042244E+00 4.890448553421084E+00 4.996968812871263E+00 1.051500695154328E-01 3.498692172696491E+00 3.325885176027370E+00 1.674339030689893E+00 4.826020552972800E+00 5.001514813872950E+00 3.504932963388010E+00 6.827611470757612E+00 3.446016224956235E+00 5.063014497366401E+00 8.426884138864210E+00 4.955663717952505E+00 3.475974083221392E+00 3.433968423169088E+00 6.815035544774238E+00 4.975964863782109E+00 4.729951537292013E+00 8.591681795124300E+00 6.668263343341565E+00 6.610220283367543E+00 6.845491892392518E+00 8.366552621987582E+00 8.586055501793680E+00 8.519094124835501E+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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