[Wannier] about Amn

[Stefano de Gironcoli]

in PWscf evc is the array containing the eigenvectors (the complex k+G 
Fourier coefficients of them); it's a global array used all around the 
code.
sgf is a local array created in the tool that builds the Amn matrix that 
contains the S matrix (for US pseudopotential, the identity matrix for NCPP)
times the guiding functions (hence the name).

hope it helps.

   Stefano de Gironcoli


On Tue, 22 May 2007, joseph99077 at yahoo.com.tw wrote:

> 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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