Match Born charge O YY w=0.0
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run spack_foss-2022a_cuda_mpi_omp >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.496020000000000e-01 | -3.496040000000000e-01 | 1.750000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 4, 2)