Match Born charge O XX w=0.0
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_cmake: [foss2022a-mpi, foss-full-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)