Match Hartree energy
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run intel-2022b >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.067930460000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)