Match Born charge diff w=0.0
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-serial-min: [foss2023b-serial] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
1.185000000000000e-02 | 1.185000000000000e-02 | 5.920000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)