Match HOMO
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 01-casida.03-unocc.inp
Value | Reference | Precision | Status |
-3.881860000000000e-01 | -3.881840000000000e-01 | 1.940000000000000e-05 | PASS |
Command: GREPFIELD(static/eigenvalues, '5 --', 3)