<DIV>Dear Pro. Blaha,</DIV>
<DIV> Thank you for your instructions !</DIV>
<DIV> Now I have solved the problerm by search over the web.</DIV>
<DIV>Regards, </DIV>
<DIV> D.W.Zhang</DIV>
<DIV> September 1, 2003<BR><BR><B><I>Peter Blaha <pblaha@zeus.theochem.tuwien.ac.at></I></B> wrote:</DIV>
<DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid; WIDTH: 100%">> I know its all lattice parameters and spacegroup. Yet I'm confusing with the atom posotions.Is there any better method to get these nessary information? Would you like to tell me your suggestions, professional website or special literature?<BR>> May be mini can determin the atom positions from an arbitrary beginning position?<BR><BR>Forget about mini in your case.<BR><BR>A crystal structure needs<BR><BR>spacegroup, lattice parameters, but also the positions of the atoms!!!<BR><BR>Make another search for your structure.<BR><BR>P.Blaha<BR>--------------------------------------------------------------------------<BR>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<BR>Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<BR>Email: blaha@theochem.tuwien.ac.at WWW:
http://info.tuwien.ac.at/theochem/<BR>--------------------------------------------------------------------------<BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</BLOCKQUOTE></DIV><BR><BR><DIV>--------------------------------------------------------------------------<BR>Dongwen Zhang</DIV>
<DIV>National Univ. of defense Technology</DIV>
<DIV>Changsha City,410073</DIV>
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<DIV>Phone: +86-731-4576016</DIV>
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