[Wannier] about Amn

joseph99077 at yahoo.com.tw joseph99077 at yahoo.com.tw
Tue May 22 16:10:12 CEST 2007


hello
       I got a question about the matrix Amn.  in the pwscf package, we can generate Mmn and Amn. there is a term in the source code pw2wannier90.f90 around line 1090 , amn = ZDOTC(npw,evc(1,ibnd),1,sgf(1,iw),1). Can you please explain more about what kind of role do evc and sgf play in this statement.  From the user guide, I would say it's the inner product of Bloch states and trail functions. so, is sgf the trail function? ( I hope this question is not beyond the scope of the website.).  
       I hope that you can tell me how to generate wannier functions from the wannier package which you provided.  
      have a good day.



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