[Wannier] phase of plot of wannier functions

Carmine Autieri autieri at sa.infn.it
Mon Sep 12 10:43:38 CEST 2011


Dear all, 

I used wannier90 to calculate hopping parameters for my solid bulk and all is fine.
I used wannier90 to plot wannier functions and I visualized using xcrysden.
My problem is that phase of the wannier functions in the plot are not in agreement with the sign of hopping parameters.

I observed that the 'Maximum grid value' is always bigger than the module of the 'Minimum grid value' when I use the plot generated from wannier90. I thought that, to impose this condition, the phase of some wannier functions in the plot are changed. Somebody found similar problem?

Best
Thanks
Carmine





More information about the Wannier mailing list