[Pw_forum] Does anyone know the Hubbard U parameter of InN ?

[Paolo Giannozzi]

On Apr 11, 2007, at 10:24 , Malgorzata Wierzbowska wrote:

> On Wed, 11 Apr 2007, ³¯ ¤ÖµØ wrote:
>
>> I had calculated the bandstructure of InN by LDA .But
>> there is no band gap show up.Someone told me the LDA+U
>> method could open the gap.That is why I ask this
>> question.
>
>  Yes someone (see the abstract below) said this.

also somebody else (not for InN, though): see
http://www.scielo.br/pdf/bjp/v36n2a/a14v362a.pdf,
but they use negative values of U for p states!

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy