Match Partial charge 2
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run cmake_foss_2022a_full_serial >
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)