<DIV>Dear Kevin,</DIV>
<DIV> </DIV>
<DIV>Thanks <BR><BR><B><I>Kevin Jorissen <kevin.jorissen@ua.ac.be></I></B> wrote:</DIV>
<DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid; WIDTH: 100%"><BR>----- Original Message -----<BR>From: "yanming Ma" <YMMA66@YAHOO.COM><BR>To: <WIEN@ZEUS.THEOCHEM.TUWIEN.AC.AT><BR>Sent: Friday, July 25, 2003 4:37 PM<BR>Subject: Re: [Wien] fermi energy change<BR><BR><BR>> Dear Lakdja,<BR>><BR>> If I am going to plot band structure with character ploting, I have to run<BR>lapw2 -band -qtl after run lapw1. Run lapw2 won't change the fermi energy in<BR>Case.scf, but may change fermi energy in Case.scf2.<BR><BR>Yes, depending on the k-mesh. Just trust the fermi-energy from case.scf.<BR>This is calculated using a k-mesh designed to sample the full brillouin<BR>zone, whereas the k-list used for spaghetti may only sample some special<BR>k-paths in reciprocal space.<BR><BR>Kevin.<BR><BR>><BR>><BR>><BR>> Yanming Ma Ph.D<BR>> Steacie Institute for Molecular Sciences,<BR>> National Research Councils of Canada,<BR>> Ott!
awa,
Ontario<BR>> K1A 0R6<BR>> Canada<BR>><BR>> ---------------------------------<BR>> Do you Yahoo!?<BR>> Yahoo! SiteBuilder - Free, easy-to-use web site design software<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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