[Wien] Band structure calculations using WIENncm code

Marcelo Barbosa marcelo.b.barbosa at gmail.com
Tue Jan 30 06:52:23 CET 2018


See this video from one of the WIEN2k lectures given by Prof. Blaha

https://www.youtube.com/watch?v=_2O38qvabZo <https://www.youtube.com/watch?v=_2O38qvabZo>

He follows step-by-step the example of TiC that is in the user’s guide, including the calculation of the band structure.

This helped me a lot!

Cheers,
Marcelo

> On 30 Jan 2018, at 13:26, Majid Yazdani <yk.majid at gmail.com> wrote:
> 
> 
>> Dear all 
> I compiled the WIENncm ​code using the ifort11 successfully.
> I also performed the scf  and density of states calculations using this code. 
> Now I'm trying to do the band structure calcuations using WIENncm ​code. But, I don't  know how to do it. 
> ​I studied the user guide of this code and searched the mailing list, but I cannot find anything about the band structure calculations.  
> Could you  explain me the band structure plotting with WIENncm code, step by step, please?
> 
> Best regards
> ​M. Yazdani-Kachoei​
>> 
> -- 
> Majid Yazdani Kachoei,
> PhD scholar of Physics
> Department of Physics, Faculty of Science,
> University of Isfahan (UI), Hezar Gerib Avenue,
> 81744 Isfahan, Iran.
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