Match Hartree energy
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_cuda_serial >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242796955100000e+02 | -5.242796943000000e+02 | 1.330000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)