Match Born charge O ZZ w=0.1
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run intel_autotools: [intel2023a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
1.307900000000000e-01 | 1.307900000000000e-01 | 1.310000000000000e-08 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 3)