Match Hartree energy
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158349800000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)