Match Born charge diff w=0.0
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_ppc >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| 2.902100000000000e-02 | 2.902100000000001e-02 | 1.450000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)