Input 01-casida.03-unocc.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
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
LUMO	-8.748499999999999e-02	-8.748200000000000e-02	4.370000000000000e-05	-2.999999999989122e-06	PASS
LUMO+2	1.319200000000000e-02	1.319200000000000e-02	6.600000000000000e-06	0.000000000000000e+00	PASS
LUMO+3	4.238700000000000e-02	4.238700000000000e-02	2.120000000000000e-05	0.000000000000000e+00	PASS
LUMO+5	4.542300000000000e-02	4.542300000000000e-02	2.270000000000000e-05	0.000000000000000e+00	PASS
LUMO+8	9.067000000000000e-02	9.067000000000000e-02	4.530000000000000e-04	0.000000000000000e+00	PASS

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