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Re: [abinit-forum] how to plot phonon DOS


Chronological Thread 
  • From: matthieu verstraete <matthieu.jean.verstraete@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] how to plot phonon DOS
  • Date: Mon, 2 Mar 2009 17:20:59 +0100
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There is also a simpler "prtdos 1" option in the latest 5.7 version, thanks to Matteo Giantomassi, which does not need the thermodynamical quantities to be calculated.

Matthieu

On Sun, Mar 1, 2009 at 6:41 PM, badis bennacer <b_bennacer@hotmail.com> wrote:
Hello,
use this command: anaddb <trf2_7.files> log7
 
You will find the values in log7 (for log7: you can call it whatever you want) and
 then use grace for exemple to plot the values.
 
To get the DOS values: in trf2_7.in set the nchan= the maximum value of the frequency
and nwchan=1
if you don't get them:
set nwchan=integer  and nchan=(max frequency)xinteger ......where integer=2,3...
 
I mean if you don't get them with nwchan=2, then try with 3 ....until you get them
 
 
Good luck
________________________
Prof. B. Bennecer
Physics Laboratory at Guelma
Faculty of Science and Engineering
University of Guelma
PO Box 401
Guelma 24000
Algeria

Tel: 213 (0) 37 20 81 16
Fax: 213 (0) 37 20 72 68
website:  http://www.univ-guelma.dz/recherche/labs/gpl/index.htm






 
> Date: Sun, 1 Mar 2009 15:56:03 +0100
> To: forum@abinit.org
> From: mt_kadri@ymail.com
> Subject: [abinit-forum] how to plot phonon DOS

>
> I'm a new user of the abinit code, I successes to plot the phonon band
> srtucture, but I don't know how to plot the phonon DOS. please help me.
> kind regards.


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--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF) 
Dpto. Fisica de Materiales, 
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Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500



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