[Wien] Fermi level
delamora
delamora at unam.mx
Mon Apr 20 15:48:00 CEST 2015
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.
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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.
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