[Wien] PHONON software @ WIEN2k code

[Natalia Pavlenko]

Dear Guohua,

a few days ago I have requested from Dr Parlinski the price
and conditions how to use the Phonon software. Below I attach
his answer.

Best wishes,
Natalia Pavlenko
---------- Forwarded message ----------
Date: Mon, 18 Sep 2006 18:25:09 +0200
From: b8parlin at cyf-kr.edu.pl
To: pavlenko at mailaps.org
Subject: about Phonon

Dear Dr Pavlenko,
Thank you for your interest to Phonon.
Below you find some additional information on the software.

Do not hesitate to ask me if you have further questions.

Regards

Krzysztof Parlinski
-------------------------------------------
Now we distribute Phonon, ver. 4.24.

Phonon software contains:
- Executables for Windows 98, ME, 2000, NT, XP
- above 50 examples
- Manual above 100 pages
- Utilities to link with VASP, Wien2k and Siesta ab initio softwares
- security key (it allows you to run Phonon at any computer
  to which you plugged in the security key (parallel port), but no file
  you need to transfer)

The academic unlimitted license of the Phonon software ver. 4.24 is
2000,- Euro and exclude local duties/taxes.
This price is set for the non-profit research in academic
institutions. The source code is not provided.

As input data Phonon program uses the Hellmann-feynmen forces
calculated
by a standard ab initio program, like VASP, Wien2k, or others, which
treat the sample as a supercell.
Phonon program is able to calculate phonon dispersion
curves, irreducible representation of modes
(at Gamma), phonon desity of states, thermodynamic functions,
Debey-Waller factors, and inelastic neutron scattering from
the Hellmann-Feynman (HF) forces. The HF forces should only be
calculated for several configurations of atoms in the supercell
of your material. To calculate HF force you need an ab initio code
which does it.
Phonon is designed to calculate lattice dynamics
for crystals having one of 230 space groups, but calculations
for surfaces, multilayers, lattice defects, etc. can also be done.

Some practical information about the usage of Phonon you may find
in the
talks of the Ab initio phonon calculations Workshop:
http://wolf.ifj.edu.pl/workshop/

---------------------------------
Prof. dr hab. Krzysztof Parlinski
Institute of  Nuclear Physics
Polish Academy of Sciences
ul.Radzikowskiego 152, 31-342 Cracow
Poland
E-mail: b8parlin at cyf-kr.edu.pl
        krzysztof.parlinski at ifj.edu.pl
Tel. (+48)-(12)-662-8209, 8408
Fax. (+48)-(12)-662-8458
WWW "Phonon":  http://wolf.ifj.edu.pl/phonon/
---------------------------------


============================================
Dr. Natalia Pavlenko
Institute of Physics, University of Augsburg
Universitaetstr.1
D-86159 Augsburg Germany

Phone: 49-821-598-3678
Fax:   49-821-598-3652
E-mail: pavlenko at mailaps.org
        natalia.pavlenko at physik.uni-augsburg.de


On Fri, 22 Sep 2006, [GB2312] ÖÓ¹ú»ª wrote:

> Dear all,
>      Hello! I found the calculation program on PHONON at the web of
> http://www.wien2k.at. It was written by Krzysztof Parlinski. Have you
> used the software?
> Who clears the price of the software and how to obtain it ?
>      Thank you very much for any help!
> Best Wishes!
>                                          Your sincerely,
>                                              Guohua
> --
> =====================================================
> Mr. GuoHua Zhong
> Address:
>     Key Laboratory of Materials Physics,Institute
>     of Solid State Physics, Chinese Academy of Sciences
>     Hefei, Anhui P.O.Box 1129, 230031 P. R. China
> Telephone:
>     86-551-5591464 (Office)
> E-Mail:
>     zhgh at theory.issp.ac.cn
>
>
>
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