From chemistry-request@server.ccl.net Sat Feb 22 01:18:29 2003 Received: from brillouin.ccqc.uga.edu ([128.192.2.65]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h1M6ITa21994 for ; Sat, 22 Feb 2003 01:18:29 -0500 Received: from localhost (ericyan@localhost) by brillouin.ccqc.uga.edu (8.9.1/8.9.1) with SMTP id BAA12856; Sat, 22 Feb 2003 01:18:30 -0500 Date: Sat, 22 Feb 2003 01:18:27 -0500 (EST) From: Eric Yan To: Alexandrova cc: chemistry@ccl.net Subject: Re: CCL:Gaussian->MOLPRO basis transfer In-Reply-To: <3E585933@webmail.usu.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII What basis sets are you looking for? Have you tried the online basis set form from PNL? Take a look at this site: http://www.emsl.pnl.gov:2080/forms/basisform.html It automatically generates basis sets for different QC packages. Hope it helps. -------------------------------------------------------------------- Eric Yan | phone: 706 542-7447 Ctr. for Comp. Quantum Chem. | fax: 706 542-0406 University of Georgia | e-mail: ericyan@ccqc.uga.edu Athens, GA 30602-2556 | http://zopyros.ccqc.uga.edu -------------------------------------------------------------------- On Fri, 21 Feb 2003, Alexandrova wrote: > Hello, everybody! > Couldn't you help me with basis sets in MOLPRO. Some basis sets for some > elements are missing there. Is there a posibility to take (transfer, input > manually?) basis set from Gaussian into the MOLPRO file? May be to make MOLPRO > to grab basis set from Gaussian? Do you know how to do it? > Thank you very much in advance. > Anastassia Alexandrova > PhD student > Dr. Boldyrev research group > Dept. of Chemistry > Utah State University > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > >