Input 05-forces.03-Na2_go_ACBN0.inp

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Run foss-mpi-full: [foss2023a-mpi]

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

Compare to other inputs