The ABINIT Users Mailing List ( CLOSED )

[PGanesh <pganesh@ciw.edu>]

Has anyone done LDA+U calculations using PAW in Abinit? If so I would 
like to get hold of a sample input file or reference to a possible 
publication of such a calculation using Abinit.  Presently I am getting 
PbCrO3 to be metallic even at large values of "U" (supposed to be 
insulator). 

Also, I am assuming that the units of "lpawu" and "jpawu" are in 
Hartrees.  Please correct me if I am wrong.


Thanks,

-P. Ganesh