From owner-chemistry@ccl.net Sat Jun 30 15:03:01 2007 From: "David Danovich david.danovich+/-huji.ac.il" To: CCL Subject: CCL: Contour grid Message-Id: <-34607-070630144441-23896-fIhzHoBEvQNEt6LVHVmyCg|a|server.ccl.net> X-Original-From: "David Danovich" Content-Transfer-Encoding: 7bit Content-Type: text/plain; format=flowed; charset="iso-8859-1"; reply-type=response Date: Sat, 30 Jun 2007 20:55:54 +0300 MIME-Version: 1.0 Sent to CCL by: "David Danovich" [david.danovich..huji.ac.il] Hi, Programs like molden or molekel can produce two dimensional contour map of the total electron density. I would like to have this contour map not only in graphical form but also as numerical grid with x, y and value of the density. Table with x and y related to geometry of the molecule with value of the total density will be the best solution. Any suggestions are welcome Thank you David