[QE-developers] Evaluating dot product of q and momentum matrix elements

Duy Le ttduyle at gmail.com
Fri Sep 25 22:32:39 CEST 2020


Dear developers,

I am trying to calculate 1/|q| q.<k,c|p-i[r,Vnl]|k,v> in the q->0 limit.
(It is similar to the right side of Equ. (15) in Baroni and Resta, PRB
1986, but with 1/|q|). I have some trouble with the dot product
q.<k,c|p-i[r,Vnl]|k,v>. In particular, what should be the angle between
vector_q and  <k,c|p-i[r,Vnl]|k,v>? Is there any part of the code that does
this or If you have any idea about it or any reference, please let me know.

Thank you very much.

Duy Le
(UCF)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20200925/d8b00741/attachment.html>


More information about the developers mailing list