Match Born charge O XX w=0.0
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_autotools: [foss2023b-serial] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-4.941120000000000e-01 | -4.941120000000000e-01 | 2.470000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 1)