[Wien] Fermi level

Saeid Jalali s_jalali_a at yahoo.com
Tue Jul 18 22:14:24 CEST 2006


It is impossible to find two Fermi levels practically by one and only  one parameter of :FER for both up and down spins as well as  theoretically taking Fermi level definition at zero temperature into  account.
  However, if you still think so, you may provide more information about the way that you find it.

stargmoon <stargmoon at yahoo.com> wrote:  Dear wien2k community,

Recently  I met a weird problem. The converged scf result had different Fermi  levels for spin-up and spin-down states. It looks to me that there are  no ghost states (no big QTL-B values) existing in my calculations.  Could you please suggest me what I should check when this problem  happens?

Your reply will be highly appreciated!

Stargmoon
     

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Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.      :+98-0311-793 2435
Office             :+98-0311-793 2430
Fax No.            :+98-0311-793 2409
E-mail             :s_jalali_a at yahoo.com
www                :http://www.ui.ac.ir
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