[Pw_forum] dangling bond

[Paolo Giannozzi]

ali kazempoor wrote:

> I am working on nanowire and i want to know about
> dangling bond on nanowire lateral facets. can i view
> or analyze orbitals shape on nanowire facets by pp.x?

you can make 2-d contous plots or 3-d isosurface plots
of any wavefunction. Of course you have to pick the
interesting ones in the interesting region of space

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy