[Pw_forum] wannier function

[wumindt2]

Dear All,

I'm a rookie on wannier90, and now I met a problem when i tried to test the example of Si.
In the cell of Si, there are 2 inequivalent Si atoms. But in the wannier function plot with two different
projections, the wannier function only located on one of the Si atoms.
In the users-guide of wannier function, it said the wannier function will apply to all the atom of the type
specified in the projection site. So why there is no wannier function on the other Si atom?
Any idea?

The two different prejections are:

!! (1) Valence bands
num_wann        =   4
dis_froz_max    =   6.5
dis_win_max     =   6.5
!! !! Bond-centred s-orbitals
begin projections
f=-0.125,-0.125, 0.375:s
f= 0.375,-0.125,-0.125:s
f=-0.125, 0.375,-0.125:s
f=-0.125,-0.125,-0.125:s
end projections
 
 
!! !! (2) Valence + conduction bands
   num_wann        =   8
   dis_froz_max    =   6.5
   dis_win_max     =  17.0
!! !! Atom-centred sp3-orbitals
   begin projections
   Si:sp3
    end projections


Thanks for any help.

Min Wu
2010-12-2
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