[Octopus-users] XCFunctional

Eduardo Pompilio da Silva edu.pompilio at googlemail.com
Sat Mar 6 17:21:53 WET 2010


Dear Octopus-users,

would it be possible to give a recommendation regarding the XCFunctional?
Which functional comes closest to the coulomb-attenuated
CAMB3LYP? I need to know this in order to reproduce some literature results
done with CAMB3LYP.

Thanking you and best wishes from Brazil

Eduardo
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