[molpro-user] Problem with MRCI calculation
mahialprhcu at gmail.com
Sat Oct 19 12:13:24 BST 2013
I am having trouble in running MRCI calculation with CAS(15/13). There are
some posts regarding this problem in user's list, but those doesn't have
complete solution. The problem which I am having is, It's running for ever,
after CASSCF calculation it's not moving forward at all. I have waited one
full day but no progress. Here, I also have provided relevant information.
We are using MOLPRO 2010 version which is installed with global arrays.
echo of input,
It just entering into MRCI calculation and not proceeding at all.
Could You have any suggestions to proceed...?
*"NEVER JUDGE A BOOK BY ITS COVER"*
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