Match Born charge O YY w=-0.2
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-6.100790000000000e-01 | -6.100790000000000e-01 | 3.050000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 6, 2)