Match Hartree energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run cmake_foss_2022a_min_serial >
Input 14-fullerene_unpacked.01-gs.inp
| Value | Reference | Precision | Status |
| 3.988936437660000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)