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

[bahadir]

if you are talking about the q-points in elphon out file(whis are used 
for naming elph.XXXXXXXXXXXX files), those are not the q-points that 
should be used in lambda.in file. you have to generate q points by the 
kpoint.x as i explained in previous reply and obtain mesh_k file as an 
output of kpoint.x. it will give you the qpoints and their 
weights(should give same number of q points as in elhon output file, if 
you say 14q points it should give 14 points in mesh_k file), and yes you 
must enter the weights in lambda.in file.

bahadir

On 03/27/2012 01:35 PM, Elie M wrote:
> 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
>
>
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>
>
> -- 
> Dr.Bahadir Altintas
>
> * Dept. of Chemistry
>   SUNY Buffalo
>   NY,USA
>
> * Abant Izzet Baysal University
>    Dept. of Computer Education
>    Bolu,Turkey
>
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-- 
Dr.Bahadir Altintas

* Dept. of Chemistry
  SUNY Buffalo
  NY,USA

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

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