Match Born charge O ZZ 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 |
| -1.242965000000000e+00 | -6.771520000000000e-01 | 3.390000000000000e-05 | FAIL |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)