Messages

1

General Questions and Answers / Re: Fermi energy shifting in band structure

« on: August 19, 2025, 06:34 »

In bandstructure, you will find an option "Energy zero" selected at fermi level. It will shift all the bands by the fermi energy value. Suppose Ef = -0.4 eV, VBM is at -0.8 eV and CBM is at -0.2 eV, the fermi level shifts to 0. this means al the bands will be shifted by 0.4 eV upward. New VBM and CBM would be -0.4 eV and 0.2 eV. It is done because, the band energies are calculated relatively.
If you want absolute band energy without fermi level correction, just change energy zero to Absolute energy.

2

General Questions and Answers / Re: What's the difference between Projected Local DensityOfStates and LocalDOS ?

« on: August 19, 2025, 06:24 »

From my knowledge, in the calculator section, you can edit the properties of PLDOS shows the contour plot of energies related to valence and conduction band, and you can extract information such as Schottky barrier height. If you want actual projections based on sites (after tagging)/ spin/ orbitals/ elements,you have to choose Projected Density of States.