Match Born charge diff w=0.1
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-min-parallel: [foss2022a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| -1.158210000000000e-01 | -5.075000000000000e-02 | 2.540000000000000e-04 | FAIL |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)