[molpro-user] optimizing reference wavefunction II
Ramon Hernandez
ramon at uaem.mx
Thu May 20 17:21:59 BST 2010
Hi,
this is a follow up to a query I posted a few weeks ago regarding problems
with
optimizing the reference wavefunction in a post multi calculation such as
mrci or rs2c.
I attach input and output.
I believe expert advice is necessary in this case !!
Thanks in advance
Ramón
P.S. The program(rs2c or mrci) exits suggesting to increase MAXITI but
doing that does not
help ...
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