Match Born charge diff w=0.0
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Run cmake_foss_2022a_full_serial >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
8.805000000000000e-03 | 8.803999999999999e-03 | 4.400000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 4)