[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
********************************************
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