Ashis Kundu

4 Questions 15 Answers 0 Followers

Questions related from Ashis Kundu

Does a structural transformation always happen if two different experiments report two different crystal structures for a given compound?

For a given compound, there are two different crystal structures(both metal) reported experimentally. Will there always be a structural transformation at certain condition (at a particular...

24 October 2016 1,760 5 View

How to plot bandstructure for spin up and spin down separately in p4vasp?

I am trying to do fat band analysis for spin down only. Now using p4vasp, I can't plot the bands for spin up and spin down separately. Does anyone have any idea how to do this? or Is there any...

17 July 2016 338 6 View

Why frequencies are different at gamma point approaching from different direction using PWscf ?

I have been trying to calculate the phonon dispersion of a 2d structure using Pwscf code. Dynamical matrices have been calculated with 4x4x1 mesh. Then I have used 'q2r.x' and 'matdyn.x' to get...

25 April 2016 4,869 6 View

Why does the total magnetic moment differ between OSZICAR and OUTCAR file in VASP?

I am trying to calculate the total magnetic moment of Co2FeSi system with different value of U. The total magnetic moment is constant in OSZICAR file for different value of U but in OUTCAR file...

16 December 2014 6,852 12 View