How is the Fermi level defined in ABINIT

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How is the Fermi level defined in ABINIT

Post by CHILL » Wed Aug 07, 2019 1:33 pm

Dear experts,

Could you please tell me how the Fermi level is defined in ABINIT?
I have noticed that very often when I do non-scf calculations on refined k-grids and then check the integrated DOS I get different values for the Fermi energy.
I mean that when I check the integrated DOS and look for the energy where the total amount of electrons is reached I put the new Fermi level. This new value is a bit different and consequently DOS at the Fermi level can be also very different (depending on the DOS profile of course).
Is the Fermi level recalculated for non-scf case, or is it just taken from the scf procedure? What value should I trust?
I am sorry if this question has already been answered.

Thank you!
Best regards, Mikhail

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