[xcrysden] Fermi surface visualization

Tone Kokalj tone.kokalj at ijs.si
Wed Mar 21 11:18:26 CET 2012


On Fri, 2012-03-16 at 23:29 -0700, Aladin Hamid wrote:
> Dear All
> I'm working with the electronic structure and Femri surface of CoSi2
> using the WIEN2K code. I have finished the SCF run and get both DOS
> and Band structure calculation. Now I want to visualize the Fermi
> surface. Therefore, I installed xcrysden (1.4 static) under REDHAT
> linux 5.1. 

1.4.1 is rather out of date. You should install something newer from:
http://www.xcrysden.org/Download.html

> My qustions are;
> Which file of the WIEN2K should I use to get the (3D-bandgrid) Fermi
> surface using the xcrysden?
> How can I use it?
> please let me know 

Here you may find some info:
http://www.xcrysden.org/doc/wien.html
in particular:
http://www.xcrysden.org/doc/wien.html#__toc__11

Further useful info may also be obtained by searching the [Wien] mailing
list about this issue.

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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