[molpro-user] mxshel problem

Aristotle Papakondylis papakondylis at chem.uoa.gr
Tue Oct 26 11:10:30 BST 2004

Dear Molpro users,

when i run molpro2002.6 i get the folLowing error message at the MRCI

 Maximum shell inside CICON       11
    in CICON
   nshell,mxshel     11     11
  nshell.ge.mxshel !!
  Set mxshel=12 in commons cconf,cconf1
  Set mxshlr=12 in common cref
by correcting this parameter and re-compiling the programme i get the
following error message at the CASSCF level:

 npage.gt.MaxPage in define_paging

Your help will be greatly appreciated.

A. Papakondylis

Aristotle Papakondylis
Assistant Professor
Physical Chemistry Laboratory
Department of Chemistry
University of Athens
P.O. Box 64004, 15710 Zografou
Athens, Greece
Fax:  (+30210)7274752
e-mail: papakondylis at chem.uoa.gr
           apap at cc.uoa.gr

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