Yambo Post Processing (ypp): Difference between revisions
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** '''-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] | |||
* Convertions: | * Convertions: |
Revision as of 08:18, 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:
-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