Match Hartree energy
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run intel-2022a >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936432950000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)