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<DIV><FONT face=Arial size=2>I wsa doing some bandstructure calculations, an
seem to have come up against som strange behaviour. Firstly, In the SBZ of the
1x1 unit cell for Si(111) moving in the K direction and moving outside the first
Brillouin zone one would expect that that the path should include the points
Gamma->K->M->K->Gamma. However, based on the bandstructure shown,
one get as a result Gamma->K->Gamma->K. Secondly, for the 3x1
reconstruction, I found that depending on the path taken results at a given
symmetry point may differ e.g at the symmetry point c I found that a difference
of -0.27 eV was obtained in one direction compared to the other direction, and
that several states were missing. Is this a known problem?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks</FONT></DIV>
<DIV><FONT face=Arial
size=2>----------------------------------------------------------------<BR>Michael
Gurnett<BR>Dept. of Physics,<BR>Inst. of Engineering Sciences, Physics and
Mathematics,<BR>Karlstad University,<BR>S-651 88 Karlstad, SWEDEN<BR>Tel. +46 54
700 2175, Fax. +46 54 700 1829,<BR>Mobile phone +46 70 590 6495<BR>E-mail: <A
href="mailto:michael.gurnett@kau.se">michael.gurnett@kau.se</A>, WWW: <A
href="http://www.ingvet.kau.se/fys/">http://www.ingvet.kau.se/fys/</A><BR>-----------------------------------------------------------------<BR></FONT></DIV></BODY></HTML>