Replies : 1 Last Post : November 03, 2016 (Thu) 16:44:24

92

Wannier function

Posted on : September 04, 2016 (Sun) 18:25:30

by Mingxing Chen

Dear Admin,
Although I know AkaiKKR yet doesn't generate Wannier functions, I am interested in the development related to this functionality based on KKR method. Because it enables us do more things beyond band structure calculations.

Sincerely,

Mingxing Chen

 
 

139

[Re:01] Wannier function

Posted on : November 03, 2016 (Thu) 16:44:24

by Administrator

Dear Minxing Chen,

unfortunately, KKR method is Green's function method, i.e. it does not use wave functions explicitly. For this reason the concept of Wannier function does not exist. An alternative way, instead of using Wannier basis, is using screened-KKR method. This, however, is not implemented in cpa2002v009c.

KKR Administrator

 
 

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