Input 23-go-na2.05-constrains.inp

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

Matches

Name	Value	Reference	Precision	Difference	Status
Total energy	-4.161898800000000e-01	-4.161898800000000e-01	2.080000000000000e-07	0.000000000000000e+00	PASS
Force [1]	-8.827298290000000e-04	-8.827298290000000e-04	4.410000000000000e-11	0.000000000000000e+00	PASS
Force [2]	-5.033453390000000e-03	-5.033453390000000e-03	2.520000000000000e-10	0.000000000000000e+00	PASS
Geometry [1]	2.798960000000000e-01	2.798960000000000e-01	1.400000000000000e-05	0.000000000000000e+00	PASS
Geometry [2]	1.587532000000000e+00	1.587532000000000e+00	7.940000000000000e-06	-2.220446049250313e-16	PASS

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