[Wannier] about Amn

Tue, 22 May 2007 22:10:12 +0800 (CST)

--0-1740024784-1179843012=:46490
Content-Type: text/plain; charset=big5
Content-Transfer-Encoding: 8bit

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！
--0-1740024784-1179843012=:46490
Content-Type: text/html; charset=big5
Content-Transfer-Encoding: 8bit

hello &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; I got a question about the matrix Amn.&nbsp; 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.&nbsp; 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.).&nbsp; &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; I hope that you can tell me how to generate wannier functions from the wannier package which you provided.&nbsp; &nbsp;&nbsp;&nbsp;&nbsp;&nbsp; have a good day. &#32;

      杜絕網路駭客，保障帳號安全 - 馬上設定 Yahoo!奇摩<a href="http://tw.info.yahoo.com/seal/index.html"><strong>安全圖章</strong></a>！
--0-1740024784-1179843012=:46490--