[Wien] energy vs DOS

Yurko Natanzon yurko.natanzon at gmail.com
Wed Apr 29 11:09:32 CEST 2009


Dear James,
If I understood your question correctly, you have to edit case.int
file and change the default values of Emin/Emax. Check Section 8.1 of
the User Guide

regards,
Yurko

2009/4/29 James Maibam <jamesmind11 at yahoo.com>:
> Dear
>  WIEN2k users,
> I do the electronic calculation for the SCF cycle. I have taken 5000 k
> points and it reduces to 165 k points. And I calculate  yhe eigen valuues at
> 165 points. But when I do the DOS calculation the energy ranges appear upto
> 1.2 Ryd. I like to increase the DOS values upto around 2.5 Ryd. How can i
> get those graph for the energy values about 2.5 Ryd. Also I get energy value
> negative, but in the literature all the energy values are positive. Please
> give reply.
>
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>



-- 
Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
PhD student
Department for Structural Research (NZ31)
Henryk Niewodniczański Institute of Nuclear Physics
Polish Academy of Sciences
ul. Radzikowskiego 152,
31-342 Krakow, Poland
E-mail: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com


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