Match Born charge O YY w=0.0
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-3.422950000000000e-01 | -3.422950000000000e-01 | 1.710000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 6, 2)