[Wannier] Is the phase of Wannier functions for plotting random?

[Xiangru Kong]

Hi All,

I was trying to plot Wannier functions using Wannier90V1.2 + VASP.  There
are two Ru atoms in the supercell.
Using num_iter=0, dis_num_iter=1000 and a frozen window for plotting the
Wannier function in xsf format files.

The band structures fit good with DFT, however the plotting phase of dyz
orbitals on the two Ru atoms are the opposite (opposite colors arrangement
when plotted with VESTA)

So the question is that does wannier90 generates Wannier functions with
random phase? Does this affect the hopping terms in Wannier90_hr.dat?


Xiangru Kong
Postdoc at Oak Ridge National Laboratory
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