[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