Match Born charge diff w=0.1
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi] >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -1.154200000000000e-02 | -1.154200000000000e-02 | 5.770000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)