Match Partial charge 1
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run foss-omp-full: [foss2023a-serial] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
3.966000000000000e+00 | 3.973000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)