[SIESTA-L] about the hybrid functional

Tue, 04 May 2010 23:37:49 -0700 

Dear siesta users and developers:
 
I wonder to know if the hybrid functional LYP is equal to B3LYP in Guassian 03.
 I know PBE in siesta is the same with PBE1PBE in Guassian 03.

Thanks in advance!
2010-05-05



Guangping Zhang

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