[Pw_forum] smearing convergence

Nicola Marzari nicola.marzari at epfl.ch
Tue Dec 31 22:17:33 CET 2013

On 31/12/2013 06:36, Manoj Narayanan wrote:
> Dear Manu
> Thanks for the quick reply. I want to do some calculation in Al bulk
> (FCC) for that I want to get the appropriate value of smearing (since Al
> is a metal)  through convergence test.  I want to know the procedure for
> that .

In a nutshell - plenty of postings of this on pw_forum - just search the

Happy new year,



Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL

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