[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.
杜絕網路駭客,保障帳號安全 - 馬上設定 Yahoo!奇摩安全圖章!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20070522/c6304f26/attachment.html>
More information about the Wannier
mailing list