Match LUMO+2
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run foss-ppc: [foss2022a-serial] >
Input 01-casida.03-unocc.inp
Value | Reference | Precision | Status |
1.319200000000000e-02 | 1.319200000000000e-02 | 6.600000000000000e-06 | PASS |
Command: GREPFIELD(static/eigenvalues, '8 --', 3)