Match Partial charge 1
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run eb_foss-2022a_mpi >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
3.983000000000000e+00 | 3.983000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)