Match Born charge O XX w=0.1
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.921780000000000e-01 | -1.921780000000000e-01 | 9.609999999999999e-08 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 1)