Match Born charge diff w=0.0
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run cmake_foss_2022a_full_serial >
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)