Match Unnormalized charge
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run cmake_foss_2022a_full_mpi >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.817458210000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)