[Pw_forum] k-points for band structure

[Eyvaz Isaev]

Dear Fethi,

I am very sorry, some time ago I promised you the
program, but always a lot of things to do. You can try
an attached file. 

Very brief comment for bands.f. After band-structure
calculations using k-points you generated you should
edit output file (nscf-file) removing  a lot of lines
up to  a line "Band structure calculation". Further
follow an example file Bands.in.

Hope it helps. Please feel free to ask if you have any
troubles .
Best regards,
Eyvaz.


--- Fethi SOYALP <fsoyalp at yyu.edu.tr> wrote:

>  Dear PWSCF users,
> I want to calculate band structure of a fcc system
> I have a problem about k-points.
> I want to generate high symmetry directions k-points
> for example W X Gama L W K Gama
> is there a program to generate k-points for band
> structure
> regards,
> 
> Fethi
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 


		
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