Match Unnormalized charge
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run cmake_foss_2022a_min_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)