[molpro-user] using DF in UMP2

Glen Jenness grj3+ at pitt.edu
Mon Dec 3 19:56:02 GMT 2007


Dear Molpro users,
We're trying to use density fitting in an unrestricted MP2 calculation. 
>From what we've gathered in the Molpro manual, this should be possible by
specifying DF-UMP2 as the job type, but this doesn't seem to work.
Any help would be appreciated!
Glen Jenness

Jordan Group
Department of Chemistry
University of Pittsburgh




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