postprocessing tool

Anything regarding the post-processing utility (e.g. excitonic wavefunction analysis) is dealt with in this forum.

Moderators: Davide Sangalli, andrea marini, Daniele Varsano

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rezuzu
Posts: 18
Joined: Sun Mar 10, 2013 11:16 am

postprocessing tool

Post by rezuzu » Tue May 07, 2013 5:13 pm

Dear users and developers,

I am new in YAMBO and I have a question of how to plot the standart output given by the :D postprocessing tool "ypp -s b -V qp".
In other words, Is there a way for transorming this output into gnuplot format?
please find enclosed the input "ypp.in" and the output " o.band-sp1''.

Thanks before

Rezuzu
Dr. Karim Rezouali,
Laboratoire de Physique théorique,
Département de Physique,
Université de Béjaia,
06000, Béjaia

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Daniele Varsano
Posts: 3824
Joined: Tue Mar 17, 2009 2:23 pm
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Re: postprocessing tool

Post by Daniele Varsano » Tue May 07, 2013 5:50 pm

Dear Rezuzu,
please let me ask you to fill your affiliation in your signature, this is a rule of the forum.
Please note that you did not upload your input/output. Anyway in the output you should have
something like:

Code: Select all

#         kx         ky                kz         b1              b2             b3          b4              b5           
         kxvalue   kyvalue     kzvalue    e_1          e_2             e_3       e_4            e_5
         kxvalue   kyvalue     kzvalue    e_1          e_2             e_3       e_4            e_5
         ....
# 

so you can use gnuplot as a graphic tool as:
p "output" u 1:4 ,\
"output" u 1:5...
and so on.

This produce your band structure.

Best,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

rezuzu
Posts: 18
Joined: Sun Mar 10, 2013 11:16 am

Re: postprocessing tool

Post by rezuzu » Tue May 07, 2013 11:56 pm

Dear Daniele,
Thank u very much,

Rezuzu


Dr. Karim Rezouali,
Laboratoire de Physique Théorique,
Département de Physique,
Université de Béjaia, 06000, Béjaia
Dr. Karim Rezouali,
Laboratoire de Physique théorique,
Département de Physique,
Université de Béjaia,
06000, Béjaia

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