Match Born charge diff w=0.0
Commits >
Commit 0c0a0ff03fa1c9b5e42984c9b7f40a807c9ec9b7 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| -5.207000000000000e-02 | -5.207000000000000e-02 | 5.210000000000000e-08 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 4)