Match Born charge O YY w=0.1
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_omp_autotools: [foss2023a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-4.086240000000000e-01 | -4.086240000000000e-01 | 2.040000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 4, 2)