Input 05-forces.03-Na2_go_ACBN0.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_mpi_autotools: [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	-2.607820500000000e-01	-2.607820500000000e-01	1.800000000000000e-07	0.000000000000000e+00	PASS
Force [1]	-4.478648600000000e-04	-4.478648600000000e-04	1.350000000000000e-12	0.000000000000000e+00	PASS
Force [2]	4.478648600000000e-04	4.478648600000000e-04	1.350000000000000e-12	0.000000000000000e+00	PASS
Geometry [1]	-1.303718000000000e+00	-1.303718000000000e+00	6.930000000000000e-06	0.000000000000000e+00	PASS
Geometry [2]	1.303718000000000e+00	1.303718000000000e+00	6.930000000000000e-06	0.000000000000000e+00	PASS

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