Match Born charge diff w=0.1
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_intel-2022a_impi_omp >
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)