Match Born charge O ZZ w=0.0
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run spack_foss-2022a_serial >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.299400000000000e-02 | -3.299400000000000e-02 | 1.650000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)