Input 05-forces.02-Na2_go.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Total energy -3.599812200000000e-01 -3.599812200000000e-01 1.800000000000000e-07 0.000000000000000e+00 PASS
Force [1] -8.042444050000000e-05 -8.042444050000000e-05 4.020000000000000e-12 0.000000000000000e+00 PASS
Force [2] 8.042444050000000e-05 8.042444050000000e-05 4.020000000000000e-12 0.000000000000000e+00 PASS
Geometry [1] -1.385826000000000e+00 -1.385826000000000e+00 6.930000000000000e-06 0.000000000000000e+00 PASS
Geometry [2] 1.385826000000000e+00 1.385826000000000e+00 6.930000000000000e-06 0.000000000000000e+00 PASS
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