Tufan Roy

3 Questions 6 Answers 0 Followers

Questions related from Tufan Roy

How can we obtain DOS of some disordered system (e.g. Co0.5Fe0.5 bcc) along a particular high symmetry direction (say G-H) using sprkkr?

Hi, I want to calculate DOS of a disordered system (say Co0.5Fe0.5 bcc) along Gamma- H direction using sprkkr? Can anybody help me ? Using sprkkr can we obtain orbital resolved (s, px, py, pz,...

19 February 2020 3,622 1 View

How to obtain orbital projected band structure using quantum espresso?

Hi, I want to obtain orbital projected band structure using quantum espresso. Can anybody help me out to do so..

03 April 2019 8,735 9 View

Is it possible to calculate the Tc for a ferromagnetic material from the energy difference between ferromagnetic state and non magnetic state?

I want to calculate Curie temperature of a ferromagnetic material from the energy difference between its ferromagnetic and non-magnetic state. How much reliable will be this approach? Is there any...

22 July 2016 1,063 3 View