Match Born charge diff w=-0.2
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| -1.889890000000000e-01 | -1.415050000000000e-01 | 7.080000000000000e-06 | FAIL |
Command: GREPFIELD(em_resp/freq_-0.2000/born_charges, "Discrepancy", 3, 5)