Match Born charge O YY w=-0.2
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run intel_mpi_autotools: [intel2023a-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)