[Wannier] Phase of plot of wannier functions

robert.guzman guzmanar at cab.cnea.gov.ar
Mon Dec 15 19:24:49 CET 2014


Dear wannier users
I have the same problem that is written below.

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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
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Do the wannier functions have the correct phase when are plotted with 
xcrysden?

Mgter. R. M. Guzmán A.
Insituto Balseiro. Argentina.




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