I'm using Exciting software, which run in Linux for windows (virtual).
My task is to find band gap, energy gap and so on for semiconductor material using this software. I have to find band gap, energy gap and so on properties for Thallium Gallium Phosphide (TlGaP). To get the value for each properties, i have to put in the lattice vector value in each input calculation, which will calculate by the software. many books have default value for GaP, GaAs and many more so i can just tahe it directly. But,i can't find the value for Thallium Phosphide (TlP).
The problem is, i don't know how to calculate the lattice vector for Thallium Phosphide.
Lattice vector equation
The Attempt at a Solution
any value from a book or using formula