Match Born charge O XX w=0.0
Commits >
Commit 65c9d1acfcf72851dda73eaed77edd797333194c >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| -1.489220000000000e-01 | -1.489220000000000e-01 | 7.450000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 3, 1)