Match Born charge O XX w=0.1
Commits >
Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a >
Run spack_foss-2022a_serial_omp >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.968670000000000e-01 | -1.968670000000000e-01 | 9.840000000000001e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 3, 1)