Match Born charge diff w=0.1
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run eb_foss-2022a_debug >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-5.633600000000000e-02 | -5.633600000000000e-02 | 2.820000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)