problems with Xe calculations
P.J.Knowles at bham.ac.uk
Tue Jun 24 16:43:22 BST 2003
This error isn't reproducible; perhaps to do with some non-printing
characters in the input?
The job does eventually crash because the CCSD program can't manage to
handle an empty virtual orbital space.
At Fri, 20 Jun 2003 15:56:19 -0600,
> [1 <text/plain; ISO-8859-1 (7bit)>]
> I tried to run Xe calculation with molpro2002, but it immediately stopped with
> the following error:
> ILLEGAL COMMAND HF
> ERROR: INCOMPLETE INTEGRAL FILE
> Can you help me to figure out the problem? The output file are attached.
> Thanks a lot.
> Qing Wen
> [2 test8.out <application/octet-stream (base64)>]
Prof. Peter J. Knowles
Email P.J.Knowles at bham.ac.uk Phone +44-121-414-7472 Fax +44-121-414-7471
School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK
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