ABINIT Discussion Forums

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

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

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

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.

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

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