Yambo Post Processing (ypp)
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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:
-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