[Wien] DOS

[hazem salem]

Dear Hong,
              Thanks a lot. Yes this was the missing point, now I got it.
Best wishes
Hazem




________________________________
From: Hong Jiang <jiang at fhi-berlin.mpg.de>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, November 5, 2008 12:21:47 AM
Subject: Re: [Wien] DOS

Hi Hazem,
Besides changing emax in case.in1, have you also changed the energy 
range in case.int (the second line) that control the DOS output window 
directly? 

-Hong

hazem salem wrote:
> Dear Wien users,
>                        I had a problem to get a complete DOS with 
> positive energy values. I tried to edit case.in1 several times to 
> increase the energy window and run :
> x lapw1 -up
> x lapw1 -dn
>  
> x lapw2 -qtl -up
> x lapw2 -qtl -dn
> x tetra -up
> x tetra -dn
>  
> But I always get a dos in the negative energy region.
>  
> Any suggestions are appreciated
> Hazem
>
> ------------------------------------------------------------------------
>
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