Sadhana Matth

3 Questions 3 Answers 0 Followers

Questions related from Sadhana Matth

While calculating density of states in wien2k, which fermi energy we should take, fermi energy from case.scf file or fermi energy from case.dat file?

When I use the Fermi energy from the case.scf file, the material shows semiconductor behavior. Using the Fermi energy from the case.dat file, it behaves as a p-type semiconductor. For band...

27 December 2024 2,769 4 View

How do I calculate the deformation potential from an elastic property calculation?

30 July 2024 8,717 1 View

How to calculate deformation potential from electronic structure calculation?

E = ∆Vi ∆L/L0, where E is the deformation energy, and ∆Vi is the energy change of the ith band with lattice dilation ∆L/L0.

30 July 2024 4,182 1 View