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

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Run foss-omp-full: [foss2023a-serial]

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS
Total energy	-1.283000150000000e+00	-1.283000280000000e+00	1.000000000000000e-04	1.300000000981072e-07	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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