Match Hartree energy
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run cmake_foss_2022a_full_serial >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158370300000e+02 | -5.236158373600000e+02 | 8.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)