[Pw_forum] graphene band structure graph

Stefano Baroni baroni at sissa.it
Wed Mar 3 21:31:09 CET 2010


"places with no points" ??? what do you mean?
you have seemingly calculated the energy bands on fewer symmetry directions than are displayed in the plot
do you know the meaning of each of the "points" that are displayed in the plot? have you counted them? does the count match the number of input points in your band-structure calculations?
there are a few easy checks that you can do by youselfe, I guess ...
SB

On Mar 3, 2010, at 9:04 PM, Elie Moujaes wrote:

> Dear all,
>  
> I got the band structure of graphene and I guess it is correct..I am not sure though why there are places with no points! You will find attached the input file and the ps file.
>  
> Regards
>  
> Elie
> 
> Do you want a Hotmail account? Sign-up now - Free <mgraph.bands.ps><mgraph.bands.in>_______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html







-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100303/015b6c1d/attachment.html>


More information about the users mailing list