Subject: CCL:Summary on Car-Parrinello codes

From: V Sundararajan <[email-masked]>
Date: Thu, 30 Jan 1997 14:08:28 +0530 (IST)

Dear Friends,

A month back I asked for information on the availability of ab initio
Molecular Dynamics code available on the internet.
My question was:

> Dear CCL friends,
>         I would greatly appreciate information regarding Car-Parrinello
> code available in the public domain.  I am interested in Silicon
> cluster simulation having about 100 atoms.
> 
I thank all those who responded for this.

All the responses are summarised below for the benefit of others in the net.
sundar
----------------------------------------------------------------------
 V. Sundararajan,  Applications group 
                   Centre for Development of Advanced Computing  
                   Pune University Campus,  Pune 411 007    
                   Phone: 352461/79/83/84 Ext 341/342  Direct 370098
                   Fax  : +91 212 357551	          
                   e-mail: [email-masked]
----------------------------------------------------------------------

Hello.

I found one at the following url site:

ftp: 141.14.129.9

file is /pub/physics/fhi93cp/fhi93cp.tar.Z

I have compiled the source codes (fortran) and everything seems externally OK.
 Yet, as to bugs, or other problems concerning this code, I am in the dark.

Good Luck.

P.S.

Please let me know of any other CP codes available.

Thanks.

Iraj.

Hi, a summary would be nice and appreciated.

Yours, Georg
--
==============================================================================
Georg Schreckenbach                      Tel: (Canada)-403-220 8204
Department of Chemistry                  FAX: (Canada)-403-289 9488
University of Calgary                    Email: [email-masked]
2500 University Drive N.W.,  Calgary,  Alberta,  Canada,  T2N 1N4
==============================================================================

Dear Sundar,

The Fritz-Haber institute in Berlin offers a Car-Parinello code.
Try at http://www/fhi-berlin.mpg.de/ . You will have to look around,
but I am sure you will find it.

Merethe

PS. I guess it is more precise to call it an ab initio molecular dynamics
    code

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Merethe Sjovoll                             *          *
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Norsk Hydro a.s Research Center             *          * 
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Dear Sir,
Recently we get a public domain Car-Parrinello code from Francois Gygi
called JEEP. You can find it at the following address :
http://irrmawww.epfl.ch/fg/jeep/jeep.html
Gygi'a address is :
        mailto:[email-masked] (Francois Gygi)
We didn't use JEEP yet, but a post-doc will arrive this year and
probably use it. Therefore I would be grateful if you could please tell
me about what you manage to do with it. My address is :
[email-masked]
Good luck. Didier MATHIEU
From: maurel <[email-masked]>