Match Hartree energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_foss-2022a_serial_min >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867620000e+03 | 3.954895867480000e+03 | 3.710000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)