[Pw_forum] question about a2F(w) generated by lambda.x and matdyn.x

[高淼]

Dear all,
I have a question about the Eliashberg spectral fuction a2F(w). Both the codes
lambda.x and matdyn.x can produce a2F(w) and lambda. Because the electron-phonon
coupling constant lambda can be calculated by the integration of a2F(w) in the
frequency space. For simplicity, I will only discuss a2F(w). Obviously, the results of
a2F(w) given by these two codes (lambda.x and matdyn.x) are different.
So which one is more reasonable and why?
 
In my opinion, the code lambda.x calculates a2F(w) through direct Brillouin-Zone
summation. While, the code matdyn.x calculates a2F(w) through Fourier interpolation.
So the quanlity of a2F(w) given by matdyn.x strongly depends on the precision of
Fourier interpolation. And the a2F(w) generated by lambda.x is more reasonable.
Am I right?
 
Any help will be highly appreciated!
 
Best wishes
 
Miao Gao
-----------------------------------------------------------------------------
Postdoctor at Institute of Physics, Chinese Academy and Science.
-----------------------------------------------------------------------------





-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150616/ee919f1d/attachment.html>