Match Born charge O XX w=0.0
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi] >
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)