[Pw_forum] passivation

[Paolo Giannozzi]

peyman amiri wrote:

> Unfortunately it is not clear to me which type of H pseudopotential has 
> to be used for passivation of surface Mn and Se atoms. 

nor is it to me, but I would try to find out which kind of saturation
produces an electonic configuration that resembles the most to that
of bulk MnSe

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