Match Born charge O YY w=-0.2
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Run spack_intel-2022a_impi_omp >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-6.263290000000000e-01 | -6.263300000000001e-01 | 3.130000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 6, 2)