Match Born charge O ZZ w=0.0
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| -3.217200000000000e-02 | -3.217000000000000e-02 | 1.610000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)