[Pw_forum] using wf_collect only for a few bands

J. D. Burton jdburton1 at gmail.com
Tue May 3 17:36:15 CEST 2011

Dear All,


Is there a way to use the 'wf_collect' to save wavefunctions ONLY for a few
bands at each k-point, say +/- 1eV around the Fermi energy? I am trying to
plot k-resolved LDOS on a fine k-grid to image the Fermi surface of a 2-D
heterostructure, but saving ALL the wavefunctions takes way too much disk
space and my cluster administrator starts barking at me.


I've looked in the code and I might be able to figure out how to do it in a
very ad hoc way, but I'm wondering if anyone has a quicker solution.



J. D.



J. D. Burton, Ph.D.

jdburton1 at gmail.com

Research Assistant Professor

University of Nebraska Lincoln

Physics and Astronomy

Office Ph. (402) 472 2499

Mobile Ph. (402) 419 9918

310A Jorgensen Hall

CV: http://tinyurl.com/2avltsc


"The job of a scientist is to generate wrong ideas as fast as possible."

-- Murray Gell-Mann


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110503/5b26ad0e/attachment.html>

More information about the users mailing list