Match Born charge O ZZ w=0.0
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.269900000000000e-02 | -3.269900000000000e-02 | 1.630000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)