Match Hartree energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a_impi >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244572617000000e+01 | 4.244572722000000e+01 | 2.880000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)