<DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">
<DIV>
<DIV>Dear wien user:</DIV>
<DIV> I am meeting with a small question about the B1a1 space group. Beacuse the B1a1 space group is not included in the Wien2k_03. I can not generate the equivalent atomic positions based on the corresponding space group.I have known the dynamic constants (a, b, c, <FONT face=ÐÂËÎÌå><TT><I style="mso-bidi-font-style: normal"><SPAN lang=EN-US style="FONT-SIZE: 14pt; LINE-HEIGHT: 200%; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">¦Á ¦Â ¦Ã</SPAN></I></TT><TT><SPAN lang=EN-US style="FONT-SIZE: 9pt; LINE-HEIGHT: 200%; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA; mso-bidi-font-size: 12.0pt"> , and Z=4 </SPAN></TT></FONT>) and all 72 atomic positions of in a conventional cell, but not the primitive cell. Please tell me how to construct the struct file step by step.</DIV>
<DIV>Thank you in advance!</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>Ph. D cai</DIV></DIV></BLOCKQUOTE></DIV><p>__________________________________________________<br>Do You Yahoo!?<br>Tired of spam? Yahoo! Mail has the best spam protection around <br>http://mail.yahoo.com