[Pw_forum] Projected Band structure

[Rolly Ng]

Hi Riemann,

You may try molecularpdos.x where you can project the selected atomic 
wave functions of the full system (corresponding to your graphene) onto 
the isolated graphene structure (without substrate).

Rolly


On 08/17/2016 02:05 PM, Riemann Derakhshan wrote:
> Dear QE Developer and users,
>
> I want to study the substrate effect on graphene, so I've put it  on 
> the hydrogenated substrate and calculate the band structure of the 
> whole of the system. The whole of the system becomes Insulator.
>
> Now I want to know is it possible to extract just only the graphene 
> band structure from the band structure od the whole of the system 
> (without substrate) with projected band structure method?
>
> If it is possible how I should do it? Any help is appreciated.
>
> Thank You in advance
>
>
> Sincerely Yours
>
> Riemann
>
>
>
>
> -- 
> PhD. student of Physics
> Physics Department of Damghan University
> Tel : +98 938 903 6759
> P.O.Box:36716-41167
> Damghan, Iran
>
>
>
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>
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-- 
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Dept. of Physics & Materials Science,
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