Match Born charge O XX w=0.0
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_foss-2023a_serial_debug >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.514420000000000e-01 | -1.514440000000000e-01 | 7.570000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 3, 1)