From chemistry-request /at\server.ccl.net Wed May 29 10:46:54 2002 Received: from suncom.rz.hu-berlin.de ([141.20.1.31]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g4TEksC28830 for ; Wed, 29 May 2002 10:46:54 -0400 Received: from impact1.chemie.hu-berlin.de (impact1.chemie.hu-berlin.de [141.20.72.25]) by suncom.rz.hu-berlin.de (8.9.3/8.9.3) with ESMTP id QAA17407; Wed, 29 May 2002 16:46:50 +0200 (MET DST) Received: (from ah[ AT ]localhost) by impact1.chemie.hu-berlin.de (SGI-8.9.3/8.9.3) id QAA94863; Wed, 29 May 2002 16:46:49 +0200 (MESZ) Date: Wed, 29 May 2002 16:46:49 +0200 From: "Dr. Alexander Hofmann" To: Martijn Zwijnenburg Cc: chemistry %-% at %-% ccl.net Subject: Re: CCL:periodic DFT Message-ID: <20020529164649.J195801- at -impact1.chemie.hu-berlin.de> Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Disposition: inline User-Agent: Mutt/1.2.5i Hello Martijn, check out one special article of the NIC-Series, available online from http://www.fz-juelich.de/nic-series/Volume1/marx.pdf written by Dominik Marx. Or check out the 1992 Paper of Michael Payne in rev. Mod. Phys 64 (1992). I'm sorry, that I can't suggest a real book. For more technical problems related the mentioned programs check out the corresponding discussion lists of the programmers. Yours Alex -- Dr. Alexander Hofmann Humboldt-Universitaet zu Berlin Institut fuer Chemie Arbeitsgruppe Quantenchemie Brook-Taylor-Strasse 2 12489 Berlin ah- at -chemie.hu-berlin.de Tel.: +49-30-2093-7138 Fax.: +49-30-2093-7136 http://www.chemie.hu-berlin.de/ag_sauer/index.html PGP-Key: wwwkeys.de.pgp.net ID: D9D62D35