[Pw_forum] About LDA+U

Paolo Giannozzi giannozz at democritos.it
Thu Oct 9 11:59:29 CEST 2008


Nicola Marzari wrote:s:

> Last - extra-care should be paid to the fact that some of the 
> pseudopotentials in the PWSCF database have non-normalized 
> atomic  wavefunctions 

fixed in the CVS version (at least based on the annoying
messages that are issued when non-normalized atomic
wavefunctions are found)

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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