Match Born charge O YY w=0.0
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_autotools: [foss2022a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.464480000000000e-01 | -3.464480000000000e-01 | 1.730000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 4, 2)