Match Born charge O ZZ w=0.0
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run intel_omp_autotools: [intel2022a-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)