[Pw_forum] Band structure calculation

shypirate shypirate at gmail.com
Sun Oct 11 14:17:11 CEST 2009


I think you should read the Fermi energy from output of pw.x


2009-10-11 



shypirate 



发件人: Bertrand SITAMTZE 
发送时间: 2009-10-11  20:09:32 
收件人: pw code 
抄送: 
主题: [Pw_forum] Band structure calculation 
 
Dear all,
I calculated the bands structure of an ionic conductor with bands.x. But when I plot it with plotband.x, the Fermi level is exactly at the middle of the forbidden gap.
I think as a conductor, the Fermi level should be in the conduction band.
Has something gone wrong?

Thanks for your help



******************************************
Bertrand SITAMTZE YOUMBI
Laboratory of Material sciences
Department of physics
University of Yaoundé I-Cameroon
PO Box 812 Yaoundé-Cameroon
********************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091011/e6b839b5/attachment.html>


More information about the users mailing list