Input 05-forces.03-Na2_go_ACBN0.inp

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Run foss-serial-debug: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 6.930000000000000e-06 0.000000000000000e+00 PASS
Total energy -2.621689700000000e-01 -2.621689500000000e-01 1.310000000000000e-07 -1.999999998947288e-08 PASS
Force [1] 1.865337160000000e-05 1.865418570000000e-05 1.870000000000000e-19 -8.141000000016563e-10 FAIL
Force [2] -1.865337160000000e-05 -1.865418570000000e-05 1.870000000000000e-19 8.141000000016563e-10 FAIL
Geometry [1] -1.312667000000000e+00 -1.312667000000000e+00 1.310000000000000e-14 -2.220446049250313e-16 PASS
Geometry [2] 1.312667000000000e+00 1.312667000000000e+00 1.310000000000000e-14 2.220446049250313e-16 PASS
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