Match Born charge diff w=-0.2
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| -1.558680000000000e-01 | -1.558670000000000e-01 | 7.790000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_-0.2000/born_charges, "Discrepancy", 3, 5)