Match Born charge O XX w=0.0
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_omp_autotools: [intel2022a-serial] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-4.941120000000000e-01 | -4.941120000000000e-01 | 2.470000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 1)