Match Born charge O XX w=-0.2
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.508420000000000e-01 | -3.508420000000000e-01 | 1.750000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 5, 1)