[Wien] bandgap of narrow gap semiconductor (below 1 eV)

[Peter Blaha]

MBJ potential is not implemented in 9.2

It will be available in the new release, which is to be expected soon
(we are beta-testing it now).

In 9.2 the Engel-Vosko potential may give some improvement of the band
gap, but its improvements are too small.

Am 18.05.2010 04:43, schrieb wanxiang feng:
> Honorable Professor Blaha,
> 
> 1. Is that the MBJLDA exchange potential  (PRL, 102, 226401, 2009)
> are already implemented in the WIEN2k_09.2 ?  If no, it will be
> implemented in the next version? and when the next version will be
> released ?
> 
> 2. Except for MBJLDA, are there some efficient methond to describe
> reasonably the bandgap of narrow gap semiconductor (below 1 eV) in
> current vesion 09.2 ? Any suggestion will be grateful!
> 
> 
> Thanks for your help!
> 
> Feng.
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria