Match Born charge O XX w=0.1
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -5.311500000000000e-01 | -5.311500000000000e-01 | 2.660000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 1)