Match Born charge O ZZ w=0.1
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_autotools: [foss2023b-serial] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-6.771520000000000e-01 | -6.771520000000000e-01 | 3.390000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)