Match Partial charge 2
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 16-scfinlcao_std.01-gs.inp
| Value | Reference | Precision | Status |
| 9.389999999999999e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)