Unkcpz Yu

3 Questions 2 Answers 0 Followers

Questions related from Unkcpz Yu

Why the crystal property in the real space can be calculated by using only few point in momentum space?

I read from book that: the macroscopic dielectric function only depends on the position difference, the integral relation between E and ε in the real space can be transfered to momentum space...

14 June 2016 2,896 2 View

Is this dispersion of second-order nonlinear optical susceptibility behave strange?

When I calculate the second-order nonlinear optical susceptibilities by using Method from S. Sharma(DOI: 10.1103/PhysRevB.67.165332), I get d33's shape like the image attached which the absolute...

12 April 2016 1,376 1 View

Can anyone suggest some scientific papers which clearly describe the PDOS in vasp?

I calculate some compounds which contain family 1 or 2 cations by using vasp (PAW-PBE). I am confused about the projected dos of Ba in my calculation(in attach file). paw-pbe pseudopotential of...

21 January 2016 7,619 2 View