band structure energy shifted

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

band structure energy shifted

Post by mina » Sat Feb 16, 2013 11:11 am

Dear all and ljludwig,
i have calculated band structure of Bi2Te3.i found the energy of all bands shifted up 5.2 ev becasue i have Fermi (or HOMO) energy (hartree) = 0.19279 Average Vxc (hartree)= -0.39535 in my out file.would you please told me how can i solve this energy shift?
Best regards.
Mina.

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