[Pw_forum] graphene band structure graph

[Elie Moujaes]

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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