Match Born charge O YY w=0.0
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_autotools: [foss2022a-mpi] >
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)