Input 01-casida.01-gs.inp

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Run spack_foss-2023a_mpi_debug

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-04	0.000000000000000e+00	PASS
Total energy	-1.997078840000000e+01	-1.997078840000000e+01	1.000000000000000e-08	0.000000000000000e+00	PASS
HOMO-1	-4.412100000000000e-01	-4.412100000000000e-01	2.210000000000000e-04	0.000000000000000e+00	PASS
HOMO	-3.881840000000000e-01	-3.881840000000000e-01	1.940000000000000e-05	0.000000000000000e+00	PASS

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