Match Born charge O ZZ w=0.0
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel-serial: [intel2023a-serial] >
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)