[Pw_forum] wannier function

[wumindt2]

Dear all,

I tested the example of wannier90.x and have a problem here.
For the Si calculation (example11), we need to include the 4 highest valence bands and  the 4 lowest conduction bands
 to make a sp3 projection on Si atoms.
However, in the case of Silane (example07), we only need all the 4 bands to make a sp3 projection on Si atom.

Why we need different number of bands to form sp3 projection for these two material?

Thanks for any idea.

Min Wu
2010-12-9
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