[Pw_forum] how can I plot phonon dispersion and the a2F(omega) vs. omega function curve?

Haruhiko Dekura dekura at sci.ehime-u.ac.jp
Fri Jul 23 09:55:55 CEST 2010


Dear Wangwei

> 3. how can I plot phonon dispersion using the file of case.freq?

As for me, (may be not so good way), I use gnuplot after a little modifying *.freq file. 
If you can read python script, my junk program may help you. ( but, may be it is dirty for you, sorry. )

I attach a sample with this mail. 


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usage: 

(1) plotBAND.py < MgO.phband.freq.out

and then, you see "band.out".

launch gnuplot, and 

(2) type "plot band.out"  

You should modify it to be appropriate figure. 


Hope this helps. 
and, if you find better way, please let me know : -)    


Haruhiko Dekura





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