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<p><font size="2"><span style="font-size:10pt;">>Oier,<br>
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>In reading this I?m wondering if you have missed something fundamental about wannier functions: The WF are not periodic in the crystallographic unit cell. In the limit of infinite k-point sampling they are isolated - and if >we sample the Brillouin Zone
with a NxNxN mesh then the WF are periodic in a NxNxN supercell of the unit cell.<br>
>There is a practical illustration of this in example01 (GaAs) such has a very coarse sampling the BZ, and hence you see the periodic images of the WF appear in the plots, if the plotting supercell is large enough.<br>
<br>
>Jonathan</span></font></p>
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<p><font size="2"><span style="font-size:10pt;">Oh, thats a big mistake from my part. So I guess It is sufficiente to consider a supercell sufficiently big so that the Wannier functions are small enough by the time they arrive to the supercell border, and
then just consider the exchange correlation potential in that supercell.</span></font></p>
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<p><font size="2"><span style="font-size:10pt;">Oier.<br>
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