Match Hartree energy
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_cuda_serial >
Input 12-boron_nitride.01-gs.inp
| Value | Reference | Precision | Status |
| -5.242796955100000e+02 | -5.242796937400001e+02 | 7.300000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Hartree =', 3)