[Pw_forum] Inconsistent pp.x and projwfc.x results?

[Paolo Giannozzi]

On Mar 23, 2007, at 19:14 , Conor Hogan wrote:

> Basically the character of the states produced by projwfc.x (atomic
> projection) and pp.x (plotting the state directly) differ in the  
> case I'm
> studying

one thing to try is to re-do the calculation using k=(0,0,0)
instead of 'Gamma tricks'. It should work in both cases,
but who knows. If this is the problem, it should show up
even in much smaller calculations

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy