Match Partial charge 4
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Run eb_foss-2022a_mpi_debug >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)