Match Born charge O YY w=0.1
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_omp_autotools: [intel2023a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-4.036320000000000e-01 | -4.036320000000000e-01 | 2.020000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 4, 2)