Match Born charge O XX w=0.0
Commits >
Commit 224605379ecf56495eac19edf712806ff1f57d89 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.485190000000000e-01 | -1.485190000000000e-01 | 7.430000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 1)