Match Born charge O YY w=0.1
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2023a_serial_omp >
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)