problems with Xe calculations

[Peter Knowles]

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.
Peter
At Fri, 20 Jun 2003 15:56:19 -0600,
qwen  wrote:
> 
> [1  <text/plain; ISO-8859-1 (7bit)>]
> Hi,
> 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
WWW http://www.tc.bham.ac.uk/~peterk/