Match Hartree energy
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run foss_autotools: [foss2023b-serial] >
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)