Match Initial energy
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run intel-2022a_impi >
Input 17-absorption-spin_symmetry.01-gs.inp
Value | Reference | Precision | Status |
-1.135646826000000e+01 | -1.135646828000000e+01 | 5.680000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)