Match Born charge diff w=0.0
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run spack_foss-2023a_mpi_debug >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| 9.382000000000000e-03 | 9.382000000000000e-03 | 4.690000000000000e-14 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)