Match Partial charge 2
Commits >
Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a >
Run foss-2022a_omp >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
9.460000000000000e-01 | 9.460000000000000e-01 | 4.730000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)