[Pw_forum] nstep for CPMD average physical quantities

[Nicola Marzari]

On 3/4/11 12:48 AM, Riping WANG wrote:
> Dear Forum,
>
> For QE-CPMD calcualtion, Could any told me how many nstep keeping is
> necessary to get average physical quantities?
> Thank you very much.
>
> WANG Riping
> 20101.3.4


Dear Riping,


here are a few lectures (videos, and notes) on Car-Parrinello and 
Born-Oppenheimer: http://www.mcc.uiuc.edu/summerschool/2006/


			nicola

-- 
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Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM