[Pw_forum] using wf_collect only for a few bands

[J. D. Burton]

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.

 

Cheers,

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://www.democritos.it/pipermail/pw_forum/attachments/20110503/5b26ad0e/attachment.htm