Yambo Post Processing (ypp): Difference between revisions

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* Plots:
* Plots:
  -BSiq            (-b) <int>      :Excitonic State Momentum
  '''-b''' → Select the momentum of the exciton you want to analize (default = 1)
  -electron        (-s) <string>  :Electronic properties (more with -h electron)
  -electron        (-s) <string>  :Electronic properties (more with -h electron)
  -exciton        (-e) <string>  :Excitonic properties (more with -h exciton)
  -exciton        (-e) <string>  :Excitonic properties (more with -h exciton)

Revision as of 08:30, 2 April 2022

YPP is a post-processing tool included in the Yambo distribution.
In this tutorial we present a non-exhaustive list of the things that can be calculated with this tool.


  • Brillouin Zone:
-k p → write the k-point list in different format
-k q →    write the q-point list in different format
-k s →    generate shifted k-points grid
-k h →    write the highest symmetry points in the BZ
-k r →    generate random k-points in the BZ
-k e →    generate regular k-points grids 
-map →    map a fine grid of k-points on the coarse one, see Double-grid in Yambo
  • Convertions:
-y  →     Remove symmetries not consistent with an external perturbation, see Real Time propagation with Yambo and Linear response in real-time
-qpdb g →  generate-modify quasi-particle(QP) database
-qpdb m →  merge quasi-particle(QP) databases
-qpdb e →  expand quasi-particle(QP) database in the full Brillouin zone(BZ)
  • Plots:
-b → Select the momentum of the exciton you want to analize (default = 1)
-electron        (-s) <string>   :Electronic properties (more with -h electron)
-exciton         (-e) <string>   :Excitonic properties (more with -h exciton)
-dipoles              <string>   :Dipole properties (more with -h dipoles)
-freehole                        :Free hole position in the excitonic plot
-avehole                         :Average hole/electron wavefunction
  • SOC:
-soc             (-w)            :Perturbative SOC mapping