[Pw_forum] DFT+U

Vi Vo vovi47 at yahoo.com
Thu Jun 10 21:47:31 CEST 2010


Dear PWSCF users,

In the PW_INPUT, I see there is an option for 
using LDA+U.  Is it true that only LDA can be used with QE.  How about 
GGA+U and PBE+U?  Are they implemented? 

Thank you very much,

Vi Vo
Chemical 
Engineering Department
University of Houston


      
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