Input 12-forces.03-N2_gs.inp

Commits > Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 > Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Total energy -1.949762840000000e+01 -1.949762840000000e+01 9.750000000000000e-07 0.000000000000000e+00 PASS
Force -2.632310240000000e+00 -2.632310240000000e+00 2.630000000000000e-14 0.000000000000000e+00 PASS
Force Ion-ion -1.111111110000000e+01 -1.111111110000000e+01 5.559999999999999e-07 0.000000000000000e+00 PASS
Force Local 5.501503440000000e+00 5.501503440000000e+00 2.750000000000000e-07 0.000000000000000e+00 PASS
Force NL 2.977297410000000e+00 2.977297410000000e+00 1.490000000000000e-07 0.000000000000000e+00 PASS
Force SCF 9.835186839999999e-09 9.835178000000001e-09 1.960000000000000e-14 8.839999998847471e-15 PASS
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