[xcrysden] Issue with wien klist file generation

[Gavin Abo]

You can either click the "Generate k-mesh using XCrysden" button on the 
Band Structure page in w2web or use the "File-->Open WIEN2k ..-->Select 
k-path" in XCrysDen.  Then, you select the k-path followed by inputting 
the multiplier and k-points along the path (as shown at 
http://www.xcrysden.org/doc/kpath.html ).  After that, it should give a 
dialog box, where you can save the klist file.  If you are using w2web, 
as it shows on the Band Structure page, the filename must be: 
xcrysden.klist (not case.klist).

On 12/2/2015 7:39 AM, Gregory Sergeev wrote:
> 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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