Match Born charge O XX w=-0.2
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run valgrind: [foss2023a-serial] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.508420000000000e-01 | -3.508420000000000e-01 | 1.750000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 5, 1)