Atanu Betal

3 Questions 8 Answers 0 Followers

Questions related from Atanu Betal

How to calculate bader charge transfer using quantum espresso?

Dear all, I want to calculate bader charge transfer of an atom deposited on a 2D material. How can I do that using quantum espresso?

12 October 2020 1,407 4 View

How to calculate piezoelectric coefficient by quantum espresso ?

I am trying to calculate piezoelectric coefficient of 2d materials with quantum espresso software. I already calculated polarization using barry phase . Now how to calculate polarization change...

13 June 2020 5,849 1 View

What is the physical significance of negative value of real part dielectric function

I find some negative value of real part dielectric function. What does it mean? What is the difference if any material shows negetive value and another material shows positive value?

01 January 1970 1,416 3 View