Match Unnormalized charge
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-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)