Match Born charge O YY w=0.0
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_foss-2022a_cuda_serial >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -3.422950000000000e-01 | -3.422950000000000e-01 | 1.710000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 6, 2)