Yambo Post Processing (ypp): Difference between revisions

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* Brillouin Zone:<br>
* Brillouin Zone:<br>
  '''-k p''' → write the k-point list in different format
  '''-k p''' → write the k-point list in different format
** '''-k q''' →    write the q-point list in different format
'''-k q''' →    write the q-point list in different format
** '''-k s''' →    generate shifted k-points grid
'''-k s''' →    generate shifted k-points grid
** '''-k h''' →    write the highest symmetry points in the BZ
'''-k h''' →    write the highest symmetry points in the BZ
** '''-k r''' →    generate random k-points in the BZ
'''-k r''' →    generate random k-points in the BZ
** '''-k e''' →    generate regular k-points grids  
'''-k e''' →    generate regular k-points grids  
** '''-map''' →    map a fine grid of k-points on the coarse one, see [https://www.attaccalite.com/speed-up-dielectric-constant-calculations-using-the-double-grid-method-with-yambo/ Double-grid in Yambo]
'''-map''' →    map a fine grid of k-points on the coarse one, see [https://www.attaccalite.com/speed-up-dielectric-constant-calculations-using-the-double-grid-method-with-yambo/ Double-grid in Yambo]


* Convertions:
* Convertions:
** '''-y'''  →    Remove symmetries not consistent with an external perturbation, see [https://www.yambo-code.org/wiki/index.php?title=Prerequisites_for_Real_Time_propagation_with_Yambo Real Time propagation with Yambo]  
'''-y'''  →    Remove symmetries not consistent with an external perturbation, see [https://www.yambo-code.org/wiki/index.php?title=Prerequisites_for_Real_Time_propagation_with_Yambo Real Time propagation with Yambo] and [https://www.attaccalite.com/lumen/linear_response.html Linear response in real-time]
and [https://www.attaccalite.com/lumen/linear_response.html Linear response in real-time]
   -qpdb                <string>  :Quasiparticle Databases (more with -h qpdb)
   -qpdb                <string>  :Quasiparticle Databases (more with -h qpdb)



Revision as of 08:22, 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                 <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