The ABINIT Users Mailing List ( CLOSED )

[Thomas Maxisch <Thomas.Maxisch@epfl.ch>]

Dear all,

> It is also the case that InN in GGA or LDA has
> a very small or zero gap, in which case dealing with
> it the metallic way may be a good idea (smearing
> and such).

In this context the choice of the pseudopotential is also quite crucial. Do 
you have a potential with 4d electrons as valence? In any case, F.Bechstedt 
in Jena is a quite good expert concerning these InN stuff.

Regards,
Thomas Maxisch



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Thomas Maxisch
EPFL FSB-ITP/CPNMC
PHB-Ecublens
CH-1015 Lausanne
Switzerland
Tel : +41 (0) 21 693 45 16
Fax : +41 (0) 21 693 44 44
Email : Thomas.Maxisch@epfl.ch
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