Match Unnormalized charge
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_autotools: [foss2022a-serial] >
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)