Match Hartree energy
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867550000e+03 | 3.954895868660000e+03 | 4.100000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)