Match Born charge diff w=-0.2
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss-serial-min: [foss2023a-serial] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.415050000000000e-01 | -1.415050000000000e-01 | 7.080000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_-0.2000/born_charges, "Discrepancy", 3, 5)