Match Born charge O ZZ w=0.0
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_autotools: [foss2023b-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.192400000000000e-02 | -3.192400000000000e-02 | 1.600000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)