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<DIV><FONT face=Arial size=2>One alternative is to use xcrysden. It won't tell
you the names of the k points but will will let you see the <FONT
size=3>Brillouin-zone and pick point in reciprocal space that are of
interest.</FONT></FONT></DIV>
<DIV><FONT face=Arial></FONT> </DIV>
<DIV><FONT face=Arial>Mick</FONT></DIV>
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style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=xlwqchen@public.fhnet.cn.net
href="mailto:xlwqchen@public.fhnet.cn.net">³ÂÇ¿</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Wednesday, September 24, 2003 8:14
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Wien] [Wien]the plot of band
structure</DIV>
<DIV><BR></DIV>
<DIV><FONT size=2>Dear All</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>By calcultion of band structure, I
find in some directions the energy bands can not
be properly plotted (both in screen or PS file). I don't
think there is any bug in Wien,but a problem on choice of the high
symmetry k-points. How should I avoid such case? For symmetry group
I41/amd what kind of high symmetry k-points should be used in
band structure?</FONT></DIV>
<DIV><FONT size=2>In some papers the Z, gamma, X, P and N for I41/amd are
used, who knows their k-components?</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>thanks </FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Q, Chen</FONT></DIV></BLOCKQUOTE></BODY></HTML>