Match Born charge O YY w=0.0
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.464480000000000e-01 | -3.464480000000000e-01 | 1.730000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 4, 2)