Lokanath Patra

3 Questions 2 Answers 0 Followers

Questions related from Lokanath Patra

How can I do orbital polarization correction with DFT?

I want to do orbital polarization correction with psedopotential codes like VASP or full potential codes like Wien2K. Can anyone help??

11 November 2017 4,382 2 View

How to calculate spin polarized dielectric function with VASP?

I am doing spin polarized calculations for one compound. I need to calculate the spin resolved dielectric function with VASP code. Can someone help me with this?

09 September 2017 1,707 2 View

How can I calculate ferroelectric spontaneous polarization of a non-centrosymmetric structure using vasp ?

I can calculate born effective charges using vasp. Using those how I can calculate the polarisation if I don't know the nearest centrosymmetric structure?

01 January 2017 9,009 0 View