[Wien] DOS
Hong Jiang
jiang at fhi-berlin.mpg.de
Tue Nov 4 22:21:47 CET 2008
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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