Match Born charge O ZZ w=0.0
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.192400000000000e-02 | -3.192400000000000e-02 | 1.600000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)