Lokanath Patra

4 Questions 3 Answers 0 Followers

Questions related from Lokanath Patra

How to plot magnon band structure?

I am trying to understand the magnon spectra in simple magnetic compounds like BCC Fe. Can anyone help me with plotting the magnon band structure for BCC Fe? I am very much new to this field....

07 December 2021 5,061 2 View

How to apply uniaxial pressure on a system in vasp calculations?

I want to check the pressure induced structural and magnetic properties changes in a system. How can I do that in VASP? How can I apply pressures like 2 GPa, 4 GPa, 6GPa etc?

05 May 2018 9,835 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?

25 September 2017 5,087 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?

20 January 2017 4,457 0 View