Match Born charge diff w=0.1
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss-mpi-min: [foss2022a-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)