Match Born charge O ZZ w=0.0
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_opt_autotools: [foss2023a-serial] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.299400000000000e-02 | -3.299400000000000e-02 | 1.650000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)