Match Hartree energy
Commits >
Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac >
Run spack_foss-2022a_cuda_serial >
Input 01-nio.01-U5-gs.inp
| Value | Reference | Precision | Status |
| 4.641776826000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)