Input 01-casida.01-gs.inp

Commits > Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 > Run foss-serial-min: [foss2023b-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	-1.997082522000000e+01	-1.997082522000000e+01	9.990000000000000e-08	0.000000000000000e+00	PASS
HOMO-1	-4.412120000000000e-01	-4.412100000000000e-01	2.210000000000000e-04	-2.000000000002000e-06	PASS
HOMO	-3.881860000000000e-01	-3.881840000000000e-01	1.940000000000000e-05	-2.000000000002000e-06	PASS

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