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<DIV><FONT face=Arial size=2>Hello,</FONT></DIV>
<DIV><FONT face=Arial size=2>I am trying to work with a hexagonal system (186)
<EM><FONT face="Times New Roman"
size=3>C<SUP>4</SUP><SUB>6v</SUB>-P6<SUB>3</SUB>mc. </FONT></EM></FONT></DIV>
<DIV>I generated the template in many different ways but always the space group
changes in sgroup.First I chose the particular space group with 4 atoms and gave
one position (first position) for all atoms. I also tried with 2 atoms
and 2 + 2 positions by chosing H as well as space group 186. In all
cases there is a change in space group. I have read the mailing list discussions
but have not been able to understand this.</DIV>
<DIV>The inputs were</DIV>
<DIV>4HSiC a =3.07, c = 10.06</DIV>
<DIV>Lattice coordinates</DIV>
<DIV>Si 0.00000000 0.00000000
0.00000000 </DIV>
<DIV>Si 0.00000000 0.00000000
0.50000000 <BR>C 0.00000000
0.00000000 0.18750000 <BR>C
0.00000000 0.00000000 0.68750000 </DIV>
<DIV>Si 0.33333333 0.66666667
0.24982500 </DIV>
<DIV>Si 0.66666667 0.33333333
0.74982500 </DIV>
<DIV>C 0.33333333 0.66666667
0.43732500 </DIV>
<DIV>C 0.66666667 0.33333333
0.93732500 </DIV>
<DIV>Please suggest how I can get the specific space group (186).</DIV>
<DIV>Thank you in advance,</DIV>
<DIV>Best wishes</DIV>
<DIV>Chandrika</DIV></BODY></HTML>