M. R. Ashwin Kishore

3 Questions 14 Answers 0 Followers

Questions related from M. R. Ashwin Kishore

How to calculate optical properties using time-dependent Hartree–Fock calculations (TDHF) based on the HSE06 calculations in VASP?

Can someone tell me the procedure to calculate the dielectric functions by including the excitonic effects using time-dependent Hartree–Fock calculations (TDHF) based on the HSE06 calculations in...

22 August 2017 3,184 2 View

How to compute the Hubbard U from a linear response approach as described in PRB 71, 035105 (2005) using VASP?

I know that the linear response approach is implemented in VASP but not yet documented. But, the instructions are as follows i) A well-converged DFT calculation without any additional Hubbard...

08 July 2016 3,889 3 View

How to make a heterojunction of two monolayers?

I am interested in studying electronic structure of heterojunctions of transition metal dichalcogenide monolayers. I dont have an idea about making heterojunctions. Help me how to make it using...

19 September 2014 9,541 8 View