Match Hartree energy
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Run spack_foss-2022a_ppc >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242796940400000e+02 | -5.242796943000000e+02 | 1.330000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)