Match Born charge diff w=0.1
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run eb_fosscuda-2022a >
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)