Match Born charge O YY w=0.1
Commits >
Commit abc749737cc12a5b79d975879ed425be2e62065f >
Run eb_foss-2022b_libxc6 >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-3.766880000000000e-01 | -3.766880000000000e-01 | 1.880000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 6, 2)