Vyacheslav
kreme_vg@chemy.kolasc.net.ru
Incidentally, in this manual, there is a link to Richard Bader:
"For information about this program, contact:
Richard F.W. Bader... "
This link does not work, as R. Bader died. Probably needs a new link?
I think the most suitable link is to Todd A. Keith, developer of Aimall software. Something from this information:
AIMAll, Todd A. Keith, TK Gristmill Software, Overland Park KS, USA (http://aim.tkgristmill.com), e-mail: aim@tkgristmill.com
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I would also like to draw attention of dear Alex Granovsky to the next problem. Thanks to Todd Keith the G03 and G09 programs give out the data for Aimall in a wfx-format that "include additional core density function data to represent the electron density of the ECP-modeled core electrons" (quote from web-page http://aim.tkgristmill.com/faqs.html#ecps). This allows to analyze calculations with ECP-bases. As a result, the list of atoms and structures has been considerably extended. Is it possible to implement this feature in FF? Personally, I really need this.
Best regards,
Vyacheslav
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On Tue Dec 24 '13 8:08pm, Thomas Pijper wrote
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>Dear Vyacheslav, Anton,
>It seems we forgot to update the description of this keyword in our documentation (though it is correctly described on page 226). We'll fix this in the next documentation update.
>
>
>Kind regards,
>Thom
>