Fermi level

Total energy, geometry optimization, DFT+U, spin....

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Ashish
Posts: 12
Joined: Fri Nov 18, 2011 10:08 am

Fermi level

Post by Ashish » Fri Nov 18, 2011 10:24 am

Hi,
I have a question
in ABINIT, Fermi energy is calculated by (1) using state by state (occupied and unoccupied) in unit cell. or (3) By integrating the charge density over atomic spheres.

If anyone have some idea , Please clearify.


Ashish

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