[Wannier] supercell calculation

[昱璋陳]

Hi there

I am  trying  to calculate 5 d-like Wannier function centered on Cobalt
atom in a nanojunction system with 82 Cu atoms and 1 Co atom in the middle
of the junction,and I compare my results between 3x3x3 K-points sampling
and gamma point sampling.

I found Wannier function that come from gamma point sampling has much
d-wave character than 3x3x3 K-points sampling and the later one looks like
a mess in the unit supercell.

By the way,I use the disentangle procedure and my outer window is
determined by including all high peaks that calculated by PWSCF-PDOS
calculation ,and there are about 50~60 state per K-point.

is there anything wrong with my procedure?

thanks!
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