Match Born charge O YY w=0.1
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run cmake_foss_2022a_full_mpi >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-3.766880000000000e-01 | -3.766880000000000e-01 | 1.880000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 6, 2)