[Wannier] A question on example15

[Mostofi, Arash]

Dear Pang Rui,

The projections consist of an s-like function on each C-C bond and a pz-like function on each C atom whose axis points in the radial direction of the nanotube. This is based on chemical intuition of what the Wannier functions for this system should look like. Note that in this example the valence bands (sigma and pi character) plus low-lying conduction bands (also pi character) are being wannierised.

Hope this helps.

Arash

—
Dr Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Reader in Theory and Simulation of Materials
Imperial College London
Director, Thomas Young Centre @Imperial
Warden, Wilkinson & Weeks Hall

On 26 May 2015, at 09:53, 庞瑞(PANG Rui) <pang.r at sustc.edu.cn<mailto:pang.r at sustc.edu.cn>> wrote:

Dear all
I found in the exampel15, the projection part was write in a very complex way. Could someone tell me why it was written like that?  How were those values decided?
Thanks.





------------------
[https://exmail.qq.com/cgi-bin/viewfile?type=logo&domain=sustc.edu.cn]
庞瑞(PANG Rui)

South University of Science and Technology of China/Department of Physics
No.1088,Xueyuan Road, Shenzhen,Guangdong


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