how to calculate dipole moment
Posted: Sun Mar 04, 2007 9:06 am
hi, I want to calculate the dipole moment of a slab with idipol=3, is it rational if I freeze the bottom three layers during optimization?
another question, my slab has totally five layers, is it enough for Rh and Pt slabs?
another question, my slab has totally five layers, is it enough for Rh and Pt slabs?