[molpro-user] SAPT performance

Berger Raphael berger at chem.helsinki.fi
Sun Nov 7 18:25:04 GMT 2010


Dear Molpro-Users,

I try to do some SAPT calcluations on a "relatively small" symmetric 
dimer. 
Somehow I feel, that it runs not all too fast. I tried to use all the 
possible speed-up options which I am aware of. 
I wonder if there are other possibilities to increase the performance.
For instance the monomer B calculation is exactly the same as the monomer 
A one...

I would be very grateful for any hints and suggestions (input is 
attached).

Best regards
 	R. Berger
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