[Wannier] about Amn

[Stefano de Gironcoli]

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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@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.
>
>
>
>       杜絕網路駭客，保障帳號安全 - 馬上設定 Yahoo!奇摩安全圖章！
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