CCL: Error message from AIM2000
- From: Eduard Matito <ematito^gmail.com>
- Subject: CCL: Error message from AIM2000
- Date: Mon, 4 Oct 2010 12:33:35 +0200
Sent to CCL by: Eduard Matito [ematito~~gmail.com]
Are you using functions of high angular momentum (e.g. g, h, etc.)?
If recall correctly l=3 was the largest angular momentum allowed in
AIMPAC
and alike packages, maybe that also extended to AIM2000...
Eduard
On Oct 1, 2010, at 4:35 PM, Tobias Kraemer
tobias.kraemer{=}chem.ox.ac.uk wrote:
Sent to CCL by: Tobias Kraemer [tobias.kraemer*o*chem.ox.ac.uk]
Dear CCLers,
I receive the error message "Illegal primitive centre" from
the
AIM2000
program when trying to open a .wfn-file. I never came accross this
before
and would appreciate your comments. I found the same question in the
archive
but as far as I can see there was never an answer to it.
Thanks in advance
Tobi
--
_________________________________________
dipl.-chem. tobias krämer
department of chemistry
inorganic chemistry laboratory
university of oxford
south parks road
oxford OX1 3QR
united kingdom
|phone| +44 (0)1865 272 135
|email| tobias.kraemer],[chem.ox.ac.uk
|email| tobias.kraemer],[linacre.ox.ac.uk
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Eduard Matito
Postdoctoral researcher
Institute of Physics
University of Szczecin
Wielkopolska 15
70451 Szczecin (Poland)
Phone: +48914441436
http://ematito.webs.com