Match Born charge O ZZ w=0.0
Commits >
Commit b27eded3d993de0343d6f1363463df82eb2e5c60 >
Run foss-serial-min: [foss2022a-serial] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.269900000000000e-02 | -3.269900000000000e-02 | 1.630000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)