DearSirHow can I set space group and k path?I want to calculate band steucture of BiFeO3 r3c.After calculating band structure how can i find parity?
There is no need to set space group and k path.
Spatial symmetry is automatically detected by QE.
K path is automatically generated by BURAI.
In the project tab, you can analyze point groups of bands by
Band > Controlling Bands > Symmetry of Bands > yes .
You will see symbols of point groups in log file.
You can read parities from the symbols.