Match Born charge O YY w=0.0
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_foss_mpi_omp: [foss2023a-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)