[Pw_forum] occupations

Gabriele Sclauzero gabriele.sclauzero at epfl.ch
Fri May 11 09:48:09 CEST 2012


Boron nitride nanotube, peut-être?
These beasts have a pretty large band gap, so that you should be able to used fixed occupations without any problem.
For instance, by googling I've found this:
http://iopscience.iop.org/0295-5075/28/5/007

HTH

GS


Il giorno 10/mag/2012, alle ore 17.37, Lorenzo Paulatto ha scritto:
> On Thu, 10 May 2012 17:11:45 +0200, bf azi <bfazi90 at gmail.com> wrote:
>> Which "occupations" better for "BNNT"?
>> ("smearing" or "fixed")
> 
> Dear Bani,
> it depends, what is a BNNT?
> 
> 
> -- 
> Lorenzo Paulatto -- Paris
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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