Match Eigenvalues sum
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2023a_serial_min >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815924950000000e+00 | -4.815925660000000e+00 | 2.410000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)