[Wannier] Phase of plot of wannier functions

[Elias Assmann]

On 12/15/2014 07:24 PM, robert.guzman wrote:
> Do the wannier functions have the correct phase when are plotted with
> xcrysden?

As far as I know, xcrysden cannot handle complex phases, only positive / 
negative.  So if your WFs have a true nontrivial phase, xcrysden will 
not be able to show that.

If it is a “trivial” phase (i.e. they could be made real by a global 
phase factor), I guess what you will see depends on which interface / 
plotting program you are using.  Here, I can only speak for 
wien2wannier: the ‘wplot2xsf’ program uses the sign of the real part 
[i.e. |w(r)|² * sgn(Re w(r))], which normally works fine.


HTH,

	Elias