Input 12-forces.02-N2_gs.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.750000000000000e-14 0.000000000000000e+00 PASS
Total energy -1.999881799000000e+01 -1.999881799000000e+01 1.000000000000000e-07 0.000000000000000e+00 PASS
Force 3.759629730000000e-02 3.759629730000000e-02 1.880000000000000e-09 0.000000000000000e+00 PASS
Force Ion-ion -5.809717310000000e+00 -5.809717310000000e+00 2.900000000000000e-07 0.000000000000000e+00 PASS
Force Local 4.691603320000000e+00 4.691603320000000e+00 4.690000000000000e-14 -8.881784197001252e-16 PASS
Force NL 1.155710260000000e+00 1.155710260000000e+00 5.780000000000000e-08 0.000000000000000e+00 PASS
Force SCF 3.262582000000000e-08 3.262581120000000e-08 1.400000000000000e-14 8.800000002805187e-15 PASS
Compare to other inputs