problems with Xe calculations
qwen
qwen at ualberta.ca
Fri Jun 20 22:55:45 BST 2003
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
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