[Pw_forum] Basic question on Band structure

Nicola Marzari nicola.marzari at materials.ox.ac.uk
Tue Feb 15 12:33:34 CET 2011

Hi Rose Mary,

in addition to the book by Richard Martin, suggested by Stefano,
you could listen to all the relevant lectures from the
QE Santa Barbara school, in the learn/multimedia section of the 
quantum-espresso page, as well as everything else that is in the learn 


On 2/15/11 9:22 AM, Rose Mary wrote:
> Hi all,
> I need to ask all a very question,I am a new user of espresso, also I am
> a very new in solid state Physics ,how shall I predict that my
> calculated band structure is correct?Also it will be helpful if I can
> get some theory of fundamentals of band structure calculation .
> Regards
> Rose Mary
> University of Kent
> Brussel

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

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