Match Born charge O XX w=0.0
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-mpi-opt-full: [foss2023a-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)