From c5c41a1fa3d5a47fc00480dcac44a3efc2414acf Mon Sep 17 00:00:00 2001 From: Bert de Jong Date: Mon, 17 May 2004 18:55:07 +0000 Subject: [PATCH] Added 4.6 version comment on the replacement of the iodine stuttgart rlc ecp. --- doc/user/knownbas.tex | 14 +++++++++++++- 1 file changed, 13 insertions(+), 1 deletion(-) diff --git a/doc/user/knownbas.tex b/doc/user/knownbas.tex index f8f8d1b3ff..bbd1a10346 100644 --- a/doc/user/knownbas.tex +++ b/doc/user/knownbas.tex @@ -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: