Match Born charge O XX w=0.1
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run intel_mpi_omp_autotools: [intel2022a-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)