Match Born charge O ZZ w=0.1
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-6.771520000000000e-01 | -6.771520000000000e-01 | 3.390000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)