Input 25-Fe_polarized.01-gs.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Total k-points 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Reduced k-points 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Space group 2.290000000000000e+02 2.290000000000000e+02 1.000000000000000e-04 0.000000000000000e+00 PASS
No. of symmetries 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.517340545800000e+02 -2.517340551900000e+02 5.000000000000000e-06 6.099999723119254e-07 PASS
Ion-ion energy -1.566336129300000e+02 -1.566336129300000e+02 7.830000000000001e-08 0.000000000000000e+00 PASS
Eigenvalues sum -3.046164356000000e+01 -3.046164352000000e+01 1.760000000000000e-06 -3.999999975690116e-08 PASS
Hartree energy 6.510589314000001e+01 6.510589381000000e+01 3.590000000000000e-06 -6.699999914872024e-07 PASS
Exchange energy -3.308255890000000e+01 -3.308255894000000e+01 4.950000000000000e-07 3.999999620418748e-08 PASS
Correlation energy -2.702960110000000e+00 -2.702960120000000e+00 1.350000000000000e-07 9.999999939225290e-09 PASS
Kinetic energy 1.198139509200000e+02 1.198139516600000e+02 4.400000000000000e-06 -7.400000043844557e-07 PASS
External energy -2.442347678200000e+02 -2.442347692000000e+02 7.470000000000000e-06 1.380000014705729e-06 PASS
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