Match Born charge O ZZ w=0.0
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss-ppc: [foss2022a-serial] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-6.243400000000000e-01 | -6.243400000000000e-01 | 3.120000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)