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- 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
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Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500
- [abinit-forum] how to plot phonon DOS, mt_kadri, 03/01/2009
- RE: [abinit-forum] how to plot phonon DOS, badis bennacer, 03/01/2009
- Re: [abinit-forum] how to plot phonon DOS, matthieu verstraete, 03/02/2009
- [abinit-forum] optimal value of dilatmx, Souraya Goumri-Said, 03/04/2009
- Re: [abinit-forum] optimal value of dilatmx, matthieu verstraete, 03/04/2009
- Message not available
- [abinit-forum] boxcut ?, Souraya Goumri-Said, 03/04/2009
- Re: [abinit-forum] boxcut ?, Zhenhua Zeng, 03/05/2009
- [abinit-forum] boxcut ?, Souraya Goumri-Said, 03/04/2009
- Message not available
- Re: [abinit-forum] optimal value of dilatmx, matthieu verstraete, 03/04/2009
- RE: [abinit-forum] how to plot phonon DOS, badis bennacer, 03/01/2009
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