From owner-chemistry: at :ccl.net Tue Nov 7 05:59:00 2006 From: "Dipankar Roy dipankarroy(!)iitb.ac.in" To: CCL Subject: CCL:G: ECP Message-Id: <-32950-061107045636-21915-gsdV3XHebrPatZRHza6LGw!A!server.ccl.net> X-Original-From: "Dipankar Roy" Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Tue, 7 Nov 2006 14:26:21 +0530 (IST) MIME-Version: 1.0 Sent to CCL by: "Dipankar Roy" [dipankarroy[#]iitb.ac.in] Hi, Ckeck the link: http://www.gaussian.com/g_ur/k_pseudo.htm hope this will answer your question. -Dipankar Roy > Sent to CCL by: "Silviu Polosan" [polosan]*[cc.kyoto-su.ac.jp] > Hello, > > Can anyone tell me how to include ECP in Gaussian03W calculations? > Someone told me to use LANL2DZ functions, but I am affraid is not enought. > Any answer will be appreciated. > > Thank you> > > > *********************************************** Dipankar Roy Graduate Student of Prof. R. B. Sunoj Computational Chemistry Laboratory Dept. of Chemistry Indian Institute of Technology, Bombay India - 400076 Phone: +91-22-2576-4130(lab) URL: http://www.geocities.com/dipankar_roy79/dipankar.html *********************************************** GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT. - PROF. LEN SHAPIRO, NDSU