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

bahadir bahadira at buffalo.edu
Mon Mar 26 06:37:24 CEST 2012


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

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