Match Unnormalized charge
Commits >
Commit 6d797cea4015e569c9484b6f40396252a005b517 >
Run spack_foss-2022a_serial_omp >
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)