[Pw_forum] bamd structure of FeS2

[Abolore Musari]

Dear QE users
Sir I am doing some calculations on FeS2 which is a diamagnetic
semiconductor of expt band gap of 0.9eV and i got this band structure
attached to this mail aand I would like to ask if it is possible for some
band from valence band to cross fermi level for a semiconductor material as
seen in the figure in whjch band at the edges crosses the fermi level and
if it is correct is there any explanation for this.

Thanks

Musari Abolore
Ph.d student
Physics dept
University of Agriculture Nigeria
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120706/41dd3807/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bands.ps
Type: application/postscript
Size: 25601 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120706/41dd3807/attachment.ps>