Input 23-go-na2.02-simplex.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run foss-2022a_opt

Matches

Name Value Reference Precision Difference Status
Total energy -4.174826300000000e-01 -4.174826000000000e-01 2.090000000000000e-07 -3.000000003972048e-08 PASS
Force [1] 2.567233110000000e-03 2.567220490000000e-03 1.390000000000000e-08 1.261999999987995e-08 PASS
Force [2] -2.567233110000000e-03 -2.567220490000000e-03 1.390000000000000e-08 -1.261999999987995e-08 PASS
Geometry [1] -1.526284000000000e+00 -1.526284000000000e+00 7.630000000000000e-06 0.000000000000000e+00 PASS
Geometry [2] 1.384190000000000e+00 1.384190000000000e+00 6.920000000000000e-05 2.220446049250313e-16 PASS
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