Match Unnormalized charge
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_foss-2022a_cuda_serial >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.817643910000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)