Match Unnormalized charge
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.815233580000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)