[Pw_forum] no. of nbnd

[Duy Le]

As the PW.html said, just count number of electrons then divide it by
2, then add 20% of that number.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Sat, Sep 18, 2010 at 12:33 PM, vicky singh <kirtinandan07 at gmail.com> wrote:
> Hi
> I am studying a supercell for Ni with 64 atoms. while specifying nbnd how
> much i select i am not sure. if i go by document PW.html it says that for
> metal it should be nelec/2 + 20 %. then should i take nbnd = 400. also it
> says minimum 4 more i.e. should i take nbnd = 330. Thanks in advance.
>
> with regards
>
> vicky singh
> research student
> Bangalore, India
>
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