From jaouad@ugr.es Fri Feb 24 09:04:58 1995 Received: from ocelote.cica.es for jaouad@ugr.es by www.ccl.net (8.6.9/930601.1506) id IAA23710; Fri, 24 Feb 1995 08:51:11 -0500 Received: (from ean@localhost) by ocelote.cica.es (8.6.9/8.6.9) id OAA25017 for CHEMISTRY@ccl.net; Fri, 24 Feb 1995 14:44:50 +0100 X400-Received: by mta rica in /PRMD=/ADMD=/C=/; Relayed; Fri, 24 Feb 1995 14:24:02 UTC+0100 X400-Received: by /PRMD=iris/ADMD=mensatex/C=es/; Relayed; Fri, 24 Feb 1995 14:24:02 UTC+0100 X400-Received: by /PRMD=es/ADMD=/C=/; Relayed; Thu, 23 Feb 1995 22:13:55 UTC+0200 Date: Thu, 23 Feb 1995 22:13:55 UTC+0200 X400-Originator: jaouad@ugr.es X400-Recipients: non-disclosure:; X400-Content-Type: P2-1984 (2) X400-MTS-Identifier: [/PRMD=es/ADMD=/C=/;950223221355] Content-Identifier: 39 Conversion: Prohibited From: Jaouad el bahraoui To: CHEMISTRY@ccl.net (confirm) Message-ID: <39*/S=jaouad/O=ugr/PRMD=iris/ADMD=mensatex/C=es/@MHS> Subject: DGAUS BASIS ? Return-Receipt-To: Jaouad el bahraoui MIME-Version: 1.0 (Generated by Ean X.400 to MIME gateway) Dear Net-chemists I'm thinking about treating my molecules with density functional calculation, and I'm interisting too to perform my DFT calculation by the basis set used by DGAUS, but I'dont know how to do it, the introduction of this basis it not so clear. Does anyone know how to do this, plase share your knowledge with me!. thanks in advance. jaouad ******************************************************************************** EL BAHRAOUI JAOUAD Ph.D.STUDENT Instituto de Biotecnologia Grupo de Modelizacion y Diseno Molecular Universidad de GRANADA,Facultad de Ciencias, GRANADA 18071,Spain TEL: 34-58-243186. FAX: 34-58-243186 EMAIL: jaouad@ugr.es ********************************************************************************