Match Born charge diff w=0.0
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run spack_foss-2023a_mpi_opt >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| 8.805000000000000e-03 | 8.803999999999999e-03 | 4.400000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 4)