[Pw_forum] Input for lambda.x execution for el-ph coupling

[Elie M]

Thanks very much for your response. So if I understood correctly, the points used for the el-ph calculations (obtained from ph.x) in my case 10 x 10x 1 (14 q points) are the ones to be used in the lambda.in file right? what about the weight of each point? do we need to give them in the input and how to calculate them?

Thanks again

Date: Mon, 26 Mar 2012 00:37:24 -0400
From: bahadira at buffalo.edu
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] Input for lambda.x execution for el-ph coupling



  


    
    
  
  
    

    if you know the q-grid that you used in elphon calculation, you can
    just use kpoint.x and give the information about system as follow:

    

    bravais lattice  >>  {your bravis lattice no 1...14}

    filout [mesh_k]  >> {just hit enter}

    

    then it will asks for some info (depends on your lattice), just
    enter them

    .

    .

    .

    mesh: n1 n2 n3   >> {enter your q-grid in X X X  format
    "example: 8 8 8"}

    mesh: k1 k2 k3 (0 no shift, 1 shifted)  >> enter 0 0 0 (no
    shift for all direction)

    write all k? [f] >> {just hit enter}

    

    then read the file that code creates named mesh_k

    

    hope it works

    

    

    bahadir

    

    

    On 03/25/2012 09:10 PM, Elie M wrote:
    
      
      
        Dear all,
        

        
        I want to use the lambda.x executable (within the el-ph
          interaction package) to calculate the el-ph coefficient lambda
          and also Tc. I have read the input in example07 but have not
          quite understood how to produce the points in the input file
          (it states using kpoints.x) but still a bit vague for me..Any
          clarification regarding this issue would be appreciated.
          Thanks
        

        
        

        
        Regards
        

        
        Elie Moudaes
        University of Nottimgham
        NG7 2RD
        UK
      
      
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum

    
    

    

    -- 
Dr.Bahadir Altintas

* Dept. of Chemistry
 SUNY Buffalo
 NY,USA

* Abant Izzet Baysal University
  Dept. of Computer Education
  Bolu,Turkey
  


_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120327/fec41bae/attachment.html>