Match Hartree energy
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run spack_foss-2022a_cuda_mpi_omp >
Input 01-nio.01-U5-gs.inp
| Value | Reference | Precision | Status |
| 4.641776906000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)