Need help to draw Bandstructure and DOS

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sriram06
Posts: 12
Joined: Fri Jan 28, 2011 9:03 am

Need help to draw Bandstructure and DOS

Post by sriram06 » Tue Aug 07, 2012 12:44 pm

dear all
I have some output file.
I want to plot bandstructure diagram and dos.
I don't know how to plot.
I have tried with abinitbandstructure.py. (In windows xp system).
I donot know how to view.
Please Help me

Thanks

rangel
Posts: 45
Joined: Tue Aug 18, 2009 9:50 pm

Re: Need help to draw Bandstructure and DOS

Post by rangel » Fri Oct 26, 2012 8:58 am

With bandstructuremaker.py
you should obtain a .agr file which can be seen with xmgrace.
I do not know if there is a version for windows though.

The manual for bandstructure makes is in:
[abinit]/doc/users/AbinitBandStructureMaker_manual.tex

To get the DOS you can add to your input file:
prtdos 1
Then you will find a file _DOS
Tonatiuh Rangel

sriram06
Posts: 12
Joined: Fri Jan 28, 2011 9:03 am

Re: Need help to draw Bandstructure and DOS

Post by sriram06 » Wed Mar 20, 2013 10:19 am

Dear all
I'm still lacking to draw the band structure since i'm using windows xp(i think).
can any one tell where i can get the band diagram data (for ex, in out file or _Eig file etc).
From that is it possible to extract the data for band structure? so that i can extract and draw the graph myself using some graph drawing tools
Thanks in advance

ilukacevic
Posts: 271
Joined: Sat Jan 16, 2010 12:05 pm
Location: Dept. of Physics, University J. J. Strossmayer, Osijek, Croatia
Contact:

Re: Need help to draw Bandstructure and DOS

Post by ilukacevic » Thu Mar 21, 2013 9:01 am

Hi!

You can find band data in the EIG file. For each k-point there you can find all the eigenvalues. But in windows (as rangel already said) you'll have to format these data by yourself (or make a program which will do it for you).

For example, if your system has 9 k-points and 6 bands, your formatted file should look like (e_ik is the eigenvalue of the k-th band for the i-th k-point)


1 e_11 e_12 e_13 ....... e_16
2 e_21 e_22 e_23 ....... e_26
.
.
.
9 e_91 e_92 e_93 ....... e_96


Best regards,

Igor L.

sriram06
Posts: 12
Joined: Fri Jan 28, 2011 9:03 am

Re: Need help to draw Bandstructure and DOS

Post by sriram06 » Thu Mar 21, 2013 12:28 pm

Thanks a lot
Let me try to format it and i'll post the results
Regards

sriram06
Posts: 12
Joined: Fri Jan 28, 2011 9:03 am

Re: Need help to draw Bandstructure and DOS

Post by sriram06 » Tue Mar 26, 2013 5:32 am

Dear all
Can any one give me matlab code to view band structure
Thanks in advance

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