Input 01-casida.03-unocc.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_ppc_autotools: [foss2022a-serial]

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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