Hello, I would like to calculate the wave function of the k point in the full BZ from the wave function in irreducible BZ. So, some symmetry operations are needed. I'm wondering if there are already some subroutines doing such jobs. Or any hint on how to do that?
Best, -------------------------------------------- Xiaoming Wang Postdoctoral Research Associate Department of Physics and Astronomy University of Toledo
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
