Match Initial energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022b_impi >
Input 13-absorption-spin.01-gs.inp
Value | Reference | Precision | Status |
-6.134127260000000e+00 | -6.134127260000000e+00 | 3.070000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)