[Pw_forum] about calculation of superconducting Tc

oyxf328 oyxf328 at 126.com
Sat Apr 9 12:18:19 CEST 2016






Dear all
      I am doing electron-phonon calculation to calculate the  Tc.My system has 4 atoms with a  tetragonal  structure. 
       I consider the magnetism. I have gotten the phonon spectrum correctly, but I have some questions when calculate the electro-phonon coupling constant. But my doubt is how to specify the lambda.in. Diffrent Tc could be got, but difftent according to diffrent degauss value and diffrent mu(Coloum coefficient in the modified). My questions are: (1) how to specify the degauss value and mu value as well as the smearing method? (2)how to select the Tc from diffrent value, how to know the Tc is convergent?
Best
   ouyang







--

 
 
 
 
 
 






 





 





 





 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160409/1634452d/attachment.html>


More information about the users mailing list