Match Hartree energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 12-boron_nitride.02-gs_gamma.inp
Value | Reference | Precision | Status |
-5.223230991100000e+02 | -5.223230991099999e+02 | 2.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)