[Pw_forum] sorting phonon bands based on symmetry/eigenvectors

[Derek Stewart]

Hi everyone,

I was wondering if anyone has written a script or program to sort the 
phonon frequencies based on their band index or branch.  This would be 
very helpful for both plotting and post-analysis.  Currently when you 
use matdyn for a given set of q-vectors, it prints out the phonon 
frequencies in order from lowest to highest.  However, this does not 
take into account the possibility of band crossings which can lead to 
changes in the order of the bands.  Matdyn also prints out the 
eigenvectors for the phonons so it should be possible to analyze this 
and then sort them.   If someone has already addressed this issue, I 
would be very interested in any tools that can handle this.

Thanks,

Derek

################################
Derek Stewart, Ph. D.
Senior Research Associate
** New Webpage **
http://sites.google.com/site/dft4nano/
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856




Stefano Baroni wrote:
> answering this post would require some data mining !
> Could you please post an intelligible message, indicating the topic in 
> the "subject" header and your name and affiliation isomewhere in the text?
> Thanks - SB
>
> On Dec 5, 2009, at 1:16 PM, Q.J.Wang wrote:
>
>> Dear Lorenzo Paulatto:
>>
>> >   1. Re: about relax in electric field (Lorenzo Paulatto)
>> >   2. Re: Pw_forum Digest, Vol 29, Issue 68 (Johnson, D. Ray)
>> >   3. Calculation of projected density of states for	individual
>> >      atoms in chain (Dimpy Sharma)
>> >   4. Re: Calculation of projected density of states for individual
>> >      atoms in chain (Lorenzo Paulatto)
>> >   5. cp.x code (Jiri Houska)
>> >   6. Re: cp.x code (Paolo Giannozzi)
>> >   7. Trouble with parallel running ld1.x (Pavel A. Akulov)
>> >
>>     
>
> + tons of garbage ...
>
>
>
>
> ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / 
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