Match Hartree energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 12-boron_nitride.01-gs.inp
| Value | Reference | Precision | Status |
| -5.236158347500000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)