Match Born charge O XX w=0.0
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_autotools: [foss2023b-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.489220000000000e-01 | -1.489220000000000e-01 | 7.450000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 3, 1)