Match Born charge diff w=0.1
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| -5.075000000000000e-02 | -5.075000000000000e-02 | 2.540000000000000e-04 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)