Match Born charge diff w=0.0
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| 1.185000000000000e-02 | 1.185000000000000e-02 | 5.920000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)