Match LUMO+5
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss-opt-full: [foss2023a-serial] >
Input 01-casida.04-unocc_restart.inp
Value | Reference | Precision | Status |
4.542300000000000e-02 | 4.542300000000000e-02 | 2.270000000000000e-05 | PASS |
Command: GREPFIELD(static/eigenvalues, '11 --', 3)