Match Partial charge 4
Commits >
Commit 84a224bff1cd011cf170e791fd9a54d358367d33 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 16-scfinlcao_std.01-gs.inp
| Value | Reference | Precision | Status |
| 7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)