[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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