Match Born charge O ZZ w=0.0
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_min_autotools: [foss2022a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.217200000000000e-02 | -3.217000000000000e-02 | 1.610000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)