[molpro-user] F3EXTSIZE

Leo Holroyd lfh2 at st-andrews.ac.uk
Thu Feb 2 15:40:15 GMT 2012

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

File size for 3-external integrals using MO/center triples:   113.307 GB

 File size limit (100.0 GB) exceeded.  Please use F3EXTSIZE to increase
File size limit
 ? Error
 ? File size limit exceeded
 ? The problem occurs in SizeOf3extcen

 GLOBAL ERROR fehler on processor   0

Many thanks,
Leo Holroyd
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