Match Born charge O ZZ w=0.1
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
1.460460000000000e-01 | 1.460420000000000e-01 | 7.300000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 3)