[molpro-user] A question about LMP2

Yang Guo guoyang0123 at gmail.com
Mon Jun 24 13:14:04 BST 2013


Hello all:

      I am using LMP2 in Molpro to study some large molecule. I want to get
more accurate results. And I noticed that there are some parameters :
REXT,  REXTS,
RESTC, REXTW that can extend the pair domain.
      However, I found these parameter are not changed, if i write like
this:

  REXT=3.0
  LMP2

in input file.

what should i do if i want to change REXT from 0.0 to 3.0?

thanks

Yang GUO
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