Match Born charge O XX w=-0.2
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.665740000000000e-01 | -3.665740000000000e-01 | 1.830000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 5, 1)