Match Born charge O ZZ w=-0.2
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Run spack_intel-2023a_serial >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-1.699748000000000e+00 | -1.699754000000000e+00 | 8.500000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 7, 3)