Input 05-forces.02-Na2_go.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_mpi_autotools: [foss2023a-mpi]

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

Compare to other inputs