Tanjun Ahmed

2 Questions 3 Answers 0 Followers

Questions related from Tanjun Ahmed

Is it possible to calculate the electrical property(band structure and PDOS) of a compound in Material studio(CASTEP module) using HSE06 functional?

My desktop is not strong enough to do HS06 geometrical optimization. So, I want to use the GGA-PBE functional to optimize the unit cell. Then use HSE06 functional in the property section(band...

23 June 2021 8,110 4 View

Is there any list that contains which stiffness/elastic modulus(Cii,Cij) effect which plane or direction of a cubic system in what way?

The value of stiffness/elastic modulus(Cii,Cjj) affects crystallographic planes in many ways like maximum shear or maximum tensile stress when stress is applied. The anisotropic materials show...

24 January 2021 3,013 2 View