Match Unnormalized charge
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022a >
Input 17-hgh_occupations.02-Au.inp
Value | Reference | Precision | Status |
9.874670000000000e-01 | 9.874670000000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)