[xcrysden] Issue with wien klist file generation

Gregory Sergeev sgregory at live.ru
Wed Dec 2 15:39:57 CET 2015


Dear All,
I am new in Wien2k and XCrysDen. Sorry for my ignoramus question.

I try to generate own klist file for wien bandstruct calculation. My actions:
1. Opening *.struct file
2. Go to Tool -> K pas selection
3. Add my points with help of mouse.
4. Save as *.kpf file (I can't find Wien2k klist format in save dialog). This *.kpf is not appropriate for Wien2k.
5. Then I try to open *.kpf by File-->Open WIEN2k ..-->Select
k-path, as written in http://www.xcrysden.org/doc/kpath.html. And here I fail... XCrysDen 
does not see the this file...

What I do wrong? May be instruction is old?

Hope some of you will help me :)

 - Gregory
 		 	   		  
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