Match Born charge diff w=0.1
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -9.794899999999999e-02 | -1.154200000000000e-02 | 5.770000000000000e-06 | FAIL |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)