[Wien] Fermi level

[Gavin Abo]

Links to the other details:

Fermi Energy

http://www.wien2k.at/reg_user/faq/neg_fermi_energy.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12066.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12126.html

Ecut

http://www.physics.oregonstate.edu/~tate/COURSES/ph575/doku.php?id=wienfaq

On 4/20/2015 8:36 AM, Fecher, Gerhard wrote:
> The Fermi energy is by definition the energy of the highest occupied state at 0K
> ... and it is important !
>
> For other details, please read the various posts in the mailing list.
>
> Ciao
> Gerhard
>
> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
> "I think the problem, to be quite honest with you,
> is that you have never actually known what the question is."
>
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz
> and
> Max Planck Institute for Chemical Physics of Solids
> 01187 Dresden
> ________________________________________
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von delamora [delamora at unam.mx]
> Gesendet: Montag, 20. April 2015 15:48
> An: A Mailing list for WIEN2k users
> Betreff: Re: [Wien] Fermi level
>
> As far as I know, the zero of the Fermi Energy is not important, but once it is taken then all the energies of the calculation are relative to this value.
> The Ecut value is relative to the ionization energy of the individual atoms.
>
> ________________________________________
> De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Ридный Ярослав Максимович <yaroslav at physics.susu.ac.ru>
> Enviado: lunes, 20 de abril de 2015 07:46 a. m.
> Para: wien at zeus.theochem.tuwien.ac.at
> Asunto: [Wien] Fermi level
>
> Hello, I have calculated the Fermi level
> :FER  : F E R M I - ENERGY(TETRAH.M.)=   0.78830
> Fermi level = 0,7883 Ry
> Relative to what is taken to zero in the program?
>
>
> And another question
> When we write Ecut=-7.0
> We cut the levels below -7.0 Ry relative to some zero.