Match Eigenvalues sum
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run intel-2022b_impi >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-3.455996330000000e+00 | -3.455996330000000e+00 | 1.730000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)