[Pw_forum] Doubt: number of Kohn-Sham states and magnetization

[Paolo Giannozzi]

On Tue, 2012-12-18 at 09:56 -0200, Antonio wrote:

> 1) I'm studying a system containing 284 electrons. 
> So, how is found the number of Kohn-Sham states equal to 170

you need at least 284 states, 142 up and 142 down; then the code 
adds 20% more statyes, since the system is presumed to be metallic
(you specified a gaussian smearing)

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