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<DIV><FONT size=2>Dear all?</FONT></DIV>
<DIV><FONT size=2>Once I have been advised from this mailing list to set
just 1 k point in kgen when calculating an organic
material. I believe it was because bands in an organic material were
supposed to be narrow and E - not to change with k.
</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I found some references [by Cornil, Bredas et.al] where the
HOMO and LUMO bandwidths for a number of typical organic materials were reported
as 0.2-1 eV broad. </FONT></DIV>
<DIV> </DIV>
<DIV><FONT size=2>Taking into account such bandwidths, would there be still
a fundamental reason for </FONT><FONT size=2>E not to change much
with k? and would your advise still be to use just 1 k point in
kgen?</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Merry Christmas</FONT></DIV>
<DIV><FONT size=2>-Alexei+</FONT></DIV></BODY></HTML>