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Added 4.6 version comment on the replacement of the iodine stuttgart rlc ecp.

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Bert de Jong 2004-05-17 18:55:07 +00:00
parent 9edc9a1536
commit c5c41a1fa3
1 changed files with 13 additions and 1 deletions
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14
doc/user/knownbas.tex
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@ -1,5 +1,5 @@
%
% $Id: knownbas.tex,v 1.18 2004-04-22 04:50:28 edo Exp $
% $Id: knownbas.tex,v 1.19 2004-05-17 18:55:07 bert Exp $
%
\label{sec:knownbasis}
@ -33,6 +33,18 @@ names should be specified exactly as provided below. A good method is
just to cut/paste from the WWW pages since they were generated
electronically from the library source.
Errors found in the basis set library of NWChem version 4.4 have been corrected in
the current library of NWChem version 4.6. The changes are listed below:
\begin{enumerate}
\item Basis Set \verb#"Stuttgart RLC ECP"# \newline
Element: I \newline
Effective core potential has been changed and now conforms to the published from by Bergner et al. (Mol. Phys. 1993).
\end{enumerate}
Errors found in the basis set library of NWChem version 4.0 have been corrected in
the current library of NWChem version 4.1. The changes are listed below: