Match Born charge O XX w=0.0
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_foss-2023b_serial >
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)