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 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 [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] 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