Match Hartree energy
Commits >
Commit 2a1dc13191de3f3d16ec7491927e39f112456880 >
Run intel-serial: [intel2023a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867590000e+03 | 3.954895868660000e+03 | 4.100000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)