Ashis Kundu

3 Questions 9 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 1,656 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 245 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 6,712 12 View