From plin "at@at" chemvx.tamu.edu  Mon Jul 28 17:22:36 1997
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Date: Mon, 28 Jul 1997 15:16:31 -0500
From: Lin Ping <plin -AatT- chemvx.tamu.edu>
Organization: Department of Chemistry
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Subject: CCL:summary:basis set of DFT calculation
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Dear CCLers,

two days ago, I post a queastion asking about the basis set for DFT
calculation. 

>Original question

> I am trying to run DFT calculation resently. Since the ordinary basis
> sets are optimized for ab initio calculation, I am wondering if there
> are basis sets spectially designed for DFT calculation, which will
> surely improve the result. 
> Any hints or references would be greatly appreciated.
> Replies can send to me directly, I will summarize to the list.

Here is another response from Dr. Georg Schreckenbach.
*****************************************************
schrecke-0at0-t12.lanl.gov (Georg Schreckenbach)


the ADF code is a pure DFT code. It uses Slater type orbitals (STO) as
basis functions, and all their basis functions where optimized by the
ADF people a long time ago using DFT calculations on atoms. Btw., ADF
stands for "Amsterdam Density Functional", and you'll find them at
http://tc.chem.vu.nl/SCM or adf[ AT ]chem.vu.nl

*****************************************************
Many thanks for your help.

Ping LIN

-- 
Department of Chemistry           Phone No. : 409-862-9225
Texas A&M University              E-mail : plin <-at-> chemvx.tamu.edu 
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