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<DIV><FONT face=Arial size=2>Hello Wien users,</FONT></DIV>
<DIV><FONT face=Arial size=2>I am having a problem getting Wien working with my
graphite structure. The graphite structure parameters (known values) are :
</FONT></DIV>
<DIV><FONT face=Arial size=2>Hexagonal, Space group : 186, P63mc</FONT></DIV>
<DIV><FONT face=Arial size=2>a, b = 2.456, c = 6.696</FONT></DIV>
<DIV><FONT face=Arial size=2>The positions for atoms :</FONT></DIV>
<DIV><FONT face=Arial size=2>Atom 1 : 0, 0, 0</FONT></DIV>
<DIV><FONT face=Arial size=2>Atom 1 (position 2) : 0, 0, 1/2</FONT></DIV>
<DIV><FONT face=Arial size=2>Atom 2 : 1/3, 2/3, 0</FONT></DIV>
<DIV><FONT face=Arial size=2>Atom 2 (position 2) : 2/3, 1/3, 1/2</FONT></DIV>
<DIV><FONT face=Arial size=2>RMT : 1.33 (default)</FONT></DIV>
<DIV><FONT face=Arial size=2>After init_lapw, the outputsgroup file changes the
space group to 194.</FONT></DIV>
<DIV><FONT face=Arial size=2>Could anyone suggest how I can get Wien to
accept the correct space group and what did I do wrong? </FONT></DIV>
<DIV><FONT face=Arial size=2>Thank you for your help,</FONT></DIV>
<DIV><FONT face=Arial size=2>Chandrika</FONT></DIV></BODY></HTML>