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
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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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PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
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