Match Born charge O ZZ w=0.1
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_foss-2023a_serial_opt >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
1.460460000000000e-01 | 1.460420000000000e-01 | 7.300000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 3)