[molpro-user] F3EXTSIZE

[Gerald Knizia]

On Thu, 2012-02-02 at 15:40 +0000, Leo Holroyd wrote:
> How does one use the F3EXTSIZE option to set the maximum file size for
> 3-external integrals?  This is the error message when the size limit
> is exceeded:
> 
> File size for 3-external integrals using MO/center triples:   113.307
> GB

You can use either this:
  cfit,F3EXTSIZE=114.0
  df-rhf
  df-lccsd(t)

or this:
  df-rhf
  {df-lccsd(t),F3EXTSIZE=114.0}

Both should do the trick (I don't know why it is has a maximum on the
size, though).
-- 
Gerald Knizia