<br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">samaneh javan</b> <<a href="mailto:samjavan@gmail.com">samjavan@gmail.com</a>><br>Date: Thu, Jun 19, 2008 at 9:42 AM<br>
Subject: bandplot<br>To: <a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br><br><br>Dear Users,<br> I read userguide and plot my band structure according to that.<br>The process is <br>
after a successful scf<br> making case.klist_band<br> x lapw1 -band<br> x lapw2 -qtl -band<br> editing case.insp<br>
x spaghetti<br> plot ...<br><br>my questions:<br><br>1- I saw case.energy but I want to know from which file I can calculate band gap and band width exactly and how.<br><br>2. Is there any difference between bandstructure of one case with the same case.klist_band but different case.klist ?<br>
<br>Thanks in advance<br><font color="#888888">Samaneh Javan<br><br><br>
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