Match Unnormalized charge
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.817517070000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)