Yambo Post Processing (ypp): Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
Line 4: | Line 4: | ||
* Brillouin Zone:<br> | * Brillouin Zone:<br> | ||
** -k p | ** '''-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 s''' :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 (-m) :Fine to coarse grid Map | -map (-m) :Fine to coarse grid Map | ||
Revision as of 10:54, 1 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 s :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 (-m) :Fine to coarse grid Map
- 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