[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
level:
Maximum shell inside CICON 11
********************
in CICON
nshell,mxshel 11 11
nshell.ge.mxshel !!
Set mxshel=12 in commons cconf,cconf1
AND
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.
Sincerely,
A. Papakondylis
_________________________________
Aristotle Papakondylis
Assistant Professor
Physical Chemistry Laboratory
Department of Chemistry
University of Athens
P.O. Box 64004, 15710 Zografou
Athens, Greece
Phone:(+30210)7274565
Fax: (+30210)7274752
e-mail: papakondylis at chem.uoa.gr
apap at cc.uoa.gr
_________________________________
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