Abdul Jalil

3 Questions 1 Answers 0 Followers

Questions related from Abdul Jalil

How to Optimize Nanotubes using VASP?

I wants to optimize MoS2 nanotubes, I am using ISIF =2 and changing POSCAR using Selective dynamic option ie (0.25 035 078 F F T). I am not relaxing the ions in x and y direction.Is it correct...

02 February 2017 2,247 0 View

How to calculate Deformation Potential using vasp?

Dear users I want to calculate deformation potential along high symmetry line e.g K-G.Please suggest proper way for calculations.

07 July 2016 8,982 0 View

Calculation of effective mass using emc?

Dear All I wants to calculate effective mass using emc (effective mass calculator)https://github.com/afonari/emc.please anybody explain the complete procedure of calculations.

05 May 2016 9,432 2 View