Input 12-forces.02-N2_gs.inp

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Run cuda-mpi: [foss2022a-cuda-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 -1.999871879000000e+01 -1.999871879000000e+01 1.000000000000000e-07 0.000000000000000e+00 PASS
Force 3.767790960000000e-02 3.767790960000000e-02 1.880000000000000e-09 -6.938893903907228e-18 PASS
Force Ion-ion -5.809717310000000e+00 -5.809717310000000e+00 2.900000000000000e-07 0.000000000000000e+00 PASS
Force Local 4.691631240000000e+00 4.691631240000000e+00 2.350000000000000e-07 8.881784197001252e-16 PASS
Force NL 1.155764000000000e+00 1.155764000000000e+00 5.780000000000000e-06 0.000000000000000e+00 PASS
Force SCF -1.637532500000000e-08 -1.637532595000000e-08 5.450000000000000e-15 9.499999994756521e-16 PASS
Compare to other inputs