Input 07-casida-photons.01-gs.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS
Total energy	-1.283000230000000e+00	-1.283000280000000e+00	1.000000000000000e-04	4.999999991817106e-08	PASS
HOMO	-2.436470000000000e-01	-2.436470000000000e-01	1.000000000000000e-04	0.000000000000000e+00	PASS
LUMO	1.899930000000000e-01	1.899930000000000e-01	1.000000000000000e-04	0.000000000000000e+00	PASS
State 27	3.555030000000000e-01	3.555030000000000e-01	1.000000000000000e-04	0.000000000000000e+00	PASS

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