[Pw_forum] Plot phonon dispersion
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Sun Feb 4 20:53:42 CET 2007
One more comment: the script is for the FCC based crystals, but the program has to work irrespective of a lattice type if you generate a *.freq file using QE v. >3.0.
Bests,
Eyvaz.
----- Original Message ----
From: Eyvaz Isaev <eyvaz_isaev at yahoo.com>
To: pw_forum at pwscf.org
Sent: Sunday, February 4, 2007 2:12:45 PM
Subject: Re: [Pw_forum] Plot phonon dispersion
Hi Igor,
Attached are a small program and a gnuplot script to visualize the phonon spectrum.
If you still use a version <3.0 please let me know.
As concerns conditions I would be happy if you somehow mention the author. We all are crazy
of citation index, that is our life.
You can download gnuplot 4.1.rc4 (see www.gnuplot.info) , and compile it (it is easy). It has some nice new features compare to 4.0.
Bests,
Eyvaz.
----- Original Message ----
From: Igor R. Shein <shein at ihim.uran.ru>
To: pw_forum at pwscf.org
Sent: Wednesday, January 31, 2007 12:00:02 PM
Subject: Re: [Pw_forum] Plot phonon dispersion
Hi, Eyvas,
And as and on conditions it is possible to receive these programs?
Igor
Eyvaz Isaev ?????:
> Hi,
>
> How it is possible (for example - plotband....) from ****.freq to
> construct the postscript plot file for a phonon dispersion ?
>
> It is possible, as example, using my little program and script.
>
> Bests,
> Eyvaz.
>
>
> Igor Shein
>
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--
PhD Igor R. Shein
Leading researcher
Insitute of the Solid State Chemistry
Ural Branch Of the Russial Academy of Sciences
Pervomaiskaya st. 91, 620041
Yekaterinburg, Russia
Tel: +7 343 362 3387
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