Match Hartree energy
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run foss-2022a_mpi_omp >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242690778899999e+02 | -5.242690683700000e+02 | 1.890000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)