How DOS is calculated.
Posted: Mon Dec 04, 2006 10:24 pm
i have two questions related to DOS
In the manual it says: The density of states (DOS) , is actually determined as the difference of the integrated DOS between two pins, i.e.
n(εi)=[N(εi) - N(εi-1)] ∆ε
∆ε is the distance between two pins
1) does pin mean energy eigenvalues calculated by VASP. How it is determined?.
2) How realistic are the energy level of defects appearing in the DOS plot of semiconductor band gap, calculated by DFT.
thanks alot
In the manual it says: The density of states (DOS) , is actually determined as the difference of the integrated DOS between two pins, i.e.
n(εi)=[N(εi) - N(εi-1)] ∆ε
∆ε is the distance between two pins
1) does pin mean energy eigenvalues calculated by VASP. How it is determined?.
2) How realistic are the energy level of defects appearing in the DOS plot of semiconductor band gap, calculated by DFT.
thanks alot