Match Born charge diff w=0.1
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run spack_foss-2023a_mpi_opt >
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)