Match Hartree energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run foss-2022a_opt >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936432280000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)