Match Hartree energy
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run cmake_foss_2022a_full_mpi >
Input 16-platinum_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.021577816200000e+02 | 1.021577808600000e+02 | 8.300000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)