Match Born charge O YY w=0.1
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run cmake_foss_2022a_min_mpi >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-4.086240000000000e-01 | -4.086240000000000e-01 | 2.040000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 4, 2)