Match Born charge O ZZ w=-0.2
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run cmake_foss_2022a_full_mpi >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.699759000000000e+00 | -1.699754000000000e+00 | 8.500000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 7, 3)