Yambo Post Processing (ypp): Difference between revisions

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* Brillouin Zone:<br>
* Brillouin Zone:<br>
** -k p
** '''-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 s'''      :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            (-m)            :Fine to coarse grid Map
   -map            (-m)            :Fine to coarse grid Map



Revision as of 10:54, 1 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 s :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             (-m)            :Fine to coarse grid Map
  • Convertions:
-fixsym          (-y)            :Remove symmetries not consistent with an external perturbation
-qpdb                 <string>   :Quasiparticle Databases (more with -h qpdb)
  • Plots:
-BSiq            (-b) <int>      :Excitonic State Momentum
-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