Match Born charge O ZZ w=0.0
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_omp_autotools: [intel2022a-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)