Input 01-casida.04-unocc_restart.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_min_autotools: [foss2022a-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 |