From chemistry-request |-at-| server.ccl.net  Mon Jan 17 17:15:04 2000
Received: from tachyon.gw.ansto.gov.au (firewall-user(+ at +)anstogw.gw.ansto.gov.au [137.157.8.253])
	by server.ccl.net (8.8.7/8.8.7) with ESMTP id RAA00644
	for <CHEMISTRY "-at-" ccl.net>; Mon, 17 Jan 2000 17:15:01 -0500
Received: by tachyon.gw.ansto.gov.au; id IAA09767; Tue, 18 Jan 2000 08:09:25 +1100 (EST)
Received: from hadron.ansto.gov.au(137.157.13.219) by tachyon.gw.ansto.gov.au via smap (4.1)
	id xma009692; Tue, 18 Jan 00 08:08:27 +1100
Received: from pdnt53.ansto.gov.au (pdnt53.anp.ansto.gov.au [137.157.48.44])
	by hadron.ansto.gov.au (8.9.3/8.9.3) with ESMTP id IAA23376;
	Tue, 18 Jan 2000 08:08:27 +1100 (EST)
Received: by pdnt53.anp.ansto.gov.au with Internet Mail Service (5.5.2448.0)
	id <DCWXDS48>; Tue, 18 Jan 2000 08:08:26 +1100
Message-ID: <40BF49FB0D7DD311922000A0C966E30E0AD93D {*at*} pdnt53.anp.ansto.gov.au>
From: "HUNTER, Brett" <bah # - at - # ansto.gov.au>
To: "'Meike Reinhold'" <mr113 -x- at -x- york.ac.uk>
Cc: "'CHEMISTRY-!at!-ccl.net'" <CHEMISTRY-!at!-ccl.net>
Subject: RE: dft programs
Date: Tue, 18 Jan 2000 08:08:24 +1100
MIME-Version: 1.0
X-Mailer: Internet Mail Service (5.5.2448.0)
Content-Type: text/plain;
	charset="windows-1252"

Hi Meike,

>could you please  point me to a webpage, where I can find dft programs
>where the source code is free available?

There is a free dft package called "DoD Planewave: A General Scalable Density Functional Code" at
http://cst-www.nrl.navy.mil/people/singh/planewave/v3.0/ .  David Singh is very helpful.  All you
need to do is email hime for the code.  

There is also a package called FHIMD at http://www.fhi-berlin.mpg.de/th/fhimd/, which although costs
you for the full version, they do have a free cutdown version for you to try.
Hope that helps.

Brett