[Pw_forum] About PBE0
leshengl at live.unc.edu
Fri Feb 7 17:46:47 CET 2014
I am now running a PBE0 calculation, and I'm wondering if I can specify the threshold of "est. exchange err" to be a little bigger. Could anyone give me a hint how to do this? Since I can't find out which keyword to do this...
Thanks for your attention, any reply will be appreciated.
PhD. student at Chemistry
University of North Carolina at Chapel Hill
Chapel Hill, NC, United States
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