Dear all
It is popular recent years that using wannier function to construct a tight
binding model. But recently in a textbook(Fundamentals of Semiconductors,Peter
Y. Yu, Manuel Cardona,Springer,2010), I found that they proposed to do the same
job using lowding orbitals. I tried to transform the KS hamiltionian of
graphene back to atomic orbital representation with the transform matrix
provided by projwfc.x, found it gave a reasonable result, at least the pz-pz
hopping is 2.8 eV, quite close to the value in wannier representation. So my
question is what is the drawback of using Lowdin orbitals so that everyone use
wannier function? Or is there any misundertanding of me in using these
conception?
Welcome for any suggestion.
Sincerely
PangRui
------------------
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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