Match Born charge O ZZ w=0.0
Commits >
Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -1.020110000000000e+00 | -6.243400000000000e-01 | 3.120000000000000e-04 | FAIL |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)