Match Born charge O ZZ w=-0.2
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss-cmake: [foss2022a-mpi, foss-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)