[Wien] band structure

koitzsch Christian.Koitzsch at gmx.ch
Wed Jan 14 14:55:23 CET 2004

You have to install XCrysDen on your computer, which is available from
www.xcrysden.org. It is a program, which allows you to pick a path along
high symmetry directions of your Brillouin zone and to generate the
appropriate klist for lapw1.

Please look at the installation instructions of Xcrysden.

Best Regards

Christian Koitzsch

PS.: if you already have XCrysden, then just pick your path and save it as
XCrysden.klist and calculate your eigenvalues on this klist...

Christian Koitzsch
University of Neuchatel
Dep. of Physics
CH-2000 Neuchatel

----- Original Message ----- 
From: "farzad ahmadian" <mv_farzad at yahoo.com>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, January 14, 2004 2:35 PM
Subject: [Wien] band structure

> dear users wien
> I want that excute "Generate k-mesh using XCrysden" in
> the terminal.( plot band structure)
> please help to me that how perform it?
> thanks.
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