Match Unnormalized charge
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run intel-2022b >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.817614320000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)