Match Partial charge 5
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run eb_foss-2022b_libxc6_mpi >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.032000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)