Match Born charge O XX w=0.1
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Run intel-2022a >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.963020000000000e-01 | -1.963020000000000e-01 | 9.819999999999999e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 1)