<DIV>Dear Pro. Blaha,</DIV>
<DIV> Thank you for your patience with the novice at exploring!</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 installed wien97 before and wien2k recently. When I tested wien2k by calculating one of the example case, TiC, over graphical interface w2kweb, the process was stuck in sgroup stage and told me the usage:'~/wien97/source/x sgroup'. Then I renamed the directorty wien97 to wien98 by 'mv wien97 wien98', and everything appeared smmoth.But why it happened? Can you tell me the key to it?<BR><BR>Check your PATH variable in .cshrc or .bashrc<BR><BR>The directory with the wien2k programs must be listed before wien97.<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>
<DIV>P.R.C.</DIV>
<DIV>Phone: +86-731-4576016</DIV>
<DIV>Email: <A href="mailto:zhangdongwen2000@yahoo.com.cn">zhangdongwen2000@yahoo.com.cn</A> </DIV>
<DIV> WWW:</DIV>
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