From angel@fluor.quimica.uniovi.es Wed Sep 10 15:23:20 1997 Received: from fluor.quimica.uniovi.es for angel@fluor.quimica.uniovi.es by www.ccl.net (8.8.3/950822.1) id PAA14617; Wed, 10 Sep 1997 15:10:52 -0400 (EDT) Received: from fluor.quimica.uniovi.es (angel@localhost [127.0.0.1]) by fluor.quimica.uniovi.es (8.6.12/8.6.9) with ESMTP id VAA15496; Wed, 10 Sep 1997 21:09:51 +0200 Sender: angel@fluor.quimica.uniovi.es Message-ID: <3416F07A.A697B262@fluor.quimica.uniovi.es> Date: Wed, 10 Sep 1997 21:09:47 +0200 From: "Angel =?iso-8859-1?Q?Mart=EDn=20Pend=E1s?=" Organization: University of Oviedo X-Mailer: Mozilla 4.02b7 [en] (X11; I; Linux 2.0.24 i586) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Band Structure code Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCLers, I am interested in obtaining reasonable analytical periodic electron densities of simple metals (Li, Ca, etc) in order to apply Bader's formalism to pure metallic crystals. However, it seems quite difficult to find any solid state physics code that uses some flavor of Plane Wave expansion. Could anyone inform me about any (freeware, shareware, etc) code or package meeting my needs? -- \|/ |^.^| ----OOO--\_/--OOO------------------------------------------------------ | Oh, The cheapness of mindless Angel Martin Pendas | calculation in modern age Professor of Chemistry | Dpto. Quimica Fisica y Analitica. | Roger Penrose, Univ. de Oviedo | The Emperor's new mind 33006 Oviedo. SPAIN | ----------------------------------------------------------------------- e-mail: angel@fluor.quimica.uniovi.es angel@carbono.quimica.uniovi.es voice: (int) 34 8 5103037 fax: (int) 34 8 5103125 www: http://www.uniovi.es/~quimica.fisica/qcg/amp/amp.html -----------------------------------------------------------------------