Match Born charge O ZZ w=0.0
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run spack_foss-2023a_serial_omp >
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)