Input 02-fock-darwin.03-ground_state.inp

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 1	8.691680000000001e-01	8.691680000000001e-01	1.000000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 3	2.116862000000000e+00	2.116862000000000e+00	1.000000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 5	3.101960000000000e+00	3.101960000000000e+00	1.000000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue 7	3.476506000000000e+00	3.476506000000000e+00	1.000000000000000e-05	0.000000000000000e+00	PASS

Compare to other inputs