Dear Alex,
How should concentration and E_fermi in the DOS section of AMSET be correlated?
If you look at the picture below, you are a little puzzled because the E_fermi of -1E-2 concentration and +1E-2 concentration are the same.
Is it not possible to calculate AMSET for the low concentration? If not, at least how much? I wonder.
The Fermi levels is an absolute value based on the eigenvalues of the system.
The reason -1E-2 and 1E-2 and incredibly tiny carrier concentrations. They are effectively zero. So the Fermi level doesn’t move when switching between them.
You should use more reasonable values e.g., 1E17 and 1E17 (note the positive exponential coefficient).
Thank you, Alex.
By the way, the E_fermi is defined by absolute Kohn-Sham eigenvalues from VASP?
It is not aligned?
By the way, the E_fermi is defined by absolute Kohn-Sham eigenvalues from VASP?
Yes, exactly.
