Input 23-go-na2.01-steep.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss-mpi-omp-full: [foss2023a-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
Total energy	-4.177305900000000e-01	-4.177305500000000e-01	2.090000000000000e-07	-4.000000003445692e-08	PASS
Force [1]	-7.420513910000000e-04	-7.420727740000000e-04	2.350000000000000e-08	2.138299999999288e-08	PASS
Force [2]	7.420513910000000e-04	7.420727740000000e-04	2.350000000000000e-08	-2.138299999999288e-08	PASS
Geometry [1]	-1.449083000000000e+00	-1.449083000000000e+00	7.249999999999999e-08	0.000000000000000e+00	PASS
Geometry [2]	1.449083000000000e+00	1.449083000000000e+00	7.249999999999999e-08	0.000000000000000e+00	PASS

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