Yambo Post Processing (ypp): Difference between revisions
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* Plots: | * Plots: | ||
'''-b''' → Select the momentum of the exciton you want to analize (default = 1) | '''-b''' → Select the momentum of the exciton you want to analize (default = 1) | ||
-electron | '''-s w''' → Plot electron wave-functions | ||
-exciton (-e) <string> :Excitonic properties (more with -h exciton) | '''-s d''' → Plot electron density | ||
'''-s m''' → Plot electron magnetization | |||
'''-s b''' → Interpolate electronic bands using the approach of ref. <ref>Warren E. Pickett, Henry Krakauer, and Philip B. Allen [https://journals.aps.org/prb/abstract/10.1103/PhysRevB.38.2721 PRB 38 p2721 (1988)]</ref>, adding '''-V qp''' includes the quasi-particle correction | |||
) -exciton (-e) <string> :Excitonic properties (more with -h exciton) | |||
-dipoles <string> :Dipole properties (more with -h dipoles) | -dipoles <string> :Dipole properties (more with -h dipoles) | ||
-freehole :Free hole position in the excitonic plot | -freehole :Free hole position in the excitonic plot | ||
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* SOC: | * SOC: | ||
-soc (-w) :Perturbative SOC mapping | -soc (-w) :Perturbative SOC mapping | ||
== References == | |||
Revision as of 08:35, 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) -s w → Plot electron wave-functions -s d → Plot electron density -s m → Plot electron magnetization -s b → Interpolate electronic bands using the approach of ref. [1], adding -V qp includes the quasi-particle correction
) -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
References
- ↑ Warren E. Pickett, Henry Krakauer, and Philip B. Allen PRB 38 p2721 (1988)