[Pw_forum] How to ouput Eigenfunction/Eigenvectors in band calculations

[Paolo Giannozzi]

On Mon, 2012-11-05 at 13:55 +0800, Simon Zapalowicz wrote:

> When calculating band structures, is there a way to output the
> eigenvectors at each k-point, which should describe the orbital
> contributions (s,p,d) of each element?

if you need the orbital contribution, you can use the projwfc.x
code. If you want to have a look at eigenvectros, the easiest
path is likely to modify one of the many post-processing codes
that read the data file and eigenvectors

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