CCL:G: sdd basis sets

 Sent to CCL by: Kirk Peterson [kipeters%wsu.edu]
 Matt,
I would check out the basis set download site at Pacific Northwest National Lab (http://www.emsl.pnl.gov/forms/basisform.html) where you can get the ECP's and accompanying basis sets in Gaussian format. At risk of a bit of self promotion, there are a new series of correlation consistent basis sets optimized explicitly for the newest Stuttgart ECPs, denoted by cc-pVDZ-PP, cc-pVTZ-PP, etc. These are available for the p-block elements from Ga-Rn, as well as the coinage metals Cu-Au. These are also available from the EMSL site. 
 good luck!
 -Kirk Peterson
 On Oct 17, 2006, at 2:45 PM, matthew tassell mjt22]_[sussex.ac.uk wrote:
 
 Sent to CCL by: "matthew  tassell" [mjt22{=}sussex.ac.uk]
dear all, ive just started a project in computational chemistry and hope to study a gold xenon system. part of the project involves using ecp's and basis sets that are relativistic. i went to the Stuttgart site to look at their ecp's but found it quite technical. and have also searched the ccl database for information about this,as well as how i add them to gaussian input files. below is a list of questions that if perhaps anybody could help me with i would be really gratefull.
exactly what type of ecp's are there on the Stuttgart site? are they only ecp's or do they contain the valence basis set as well?
How would i go about adding a ecp that consists of exponants and coeficents to a gaussian input gile?( perhaps you may be able to donate an example of one you have). 
 How do i make sence of the format that the ecp's are written in?
any surgestions about the above questions would be really grate, or just if you have any comments that might help me out when using gold or xenon in calculations. thank you in advance, matt
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