Match Born charge diff w=0.0
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| 1.129400000000000e-02 | 1.129400000000000e-02 | 5.650000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 4)