[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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