[Pw_forum] graphene band structure graph

[Stefano Baroni]

I do not know. Best wishes - SB

On Mar 4, 2010, at 12:02 AM, Elie Moujaes wrote:

> Thanks for your reply. I have actually gone to the xmgr file and deleted the extra points and used gnuplot to plot the results. However if I wanna plot things directly using "gs" (i.e reading the points from the xmgr file directly), do I have to add the points in the input file. Why does the xmgr file add more points than the ones given in input? In the bands.dat file, I have the same points as input!
>  
> Regards
> 
>  
> From: baroni at sissa.it
> Date: Wed, 3 Mar 2010 21:31:09 +0100
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] graphene band structure graph
> 
> "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
> 
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> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
> http://stefano.baroni.me  [+39] 040 3787 406  [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)
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---
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







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