<DIV>Dear Lyudmila Dobysheva </DIV>
<DIV> </DIV>
<DIV>Thanks very much for your answer. You are right. This is the case as you suggested.</DIV>
<DIV> </DIV>
<DIV>Best Wishes!</DIV>
<DIV> </DIV>
<DIV>Yanming</DIV>
<DIV><BR><BR><B><I>Lyudmila Dobysheva <lyu@otf.fti.udmurtia.su></I></B> wrote:</DIV>
<DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid; WIDTH: 100%">On Thu, 17 Jul 2003, yanming Ma wrote:<BR><BR>> Then to calculate the bandstructure, I run <BR>> "x lapw1 -so -band"<BR>> "x lapw2 -so -band -qtl"<BR>> "x spaghetti -so"<BR>> <BR>> But the calculated bandstructure is wrong. <BR><BR>Just a quick guess: don't you need in your case a complex version of lapw1<BR>and lapw2?<BR>"x lapw1c -so -band"<BR>"x lapw2c -so -band -qtl"<BR>"x spaghetti -so<BR><BR>Best regards<BR>Lyudmila Dobysheva <BR>------------------------------------------------------------------------<BR>Phys.-Techn. Institute of | Tel.(home): 7 (3412) 442118<BR>Ural Branch of Russian Ac. of Sci. | Tel.(office): 7 (3412) 218988<BR>426001 Izhevsk, ul.Kirova 132 | Fax: 7 (3412) 250614<BR>RUSSIA | E-mail:
lyu@otf.fti.udmurtia.su<BR>------------------------------------------------------------------------<BR>http://fti.udm.ru/ltt/personals/dobysh.htm<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>Yanming Ma Ph.D<br>Steacie Institute for Molecular Sciences,<br>National Research Councils of Canada,<br>Ottawa, Ontario<br>K1A 0R6<br>Canada<p><hr SIZE=1>
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