[QE-users] wfc from IBZ to full BZ

[Wang, Xiaoming]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20201122/1f4d74c1/attachment.html>