Match Born charge O YY w=0.1
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_foss-2022a_cuda_serial >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-4.086240000000000e-01 | -4.086240000000000e-01 | 2.040000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 4, 2)