Ashima Rawat

3 Questions 9 Answers 0 Followers

Questions related from Ashima Rawat

How can I optimise a 1D polymer chain using VASP or Gaussian ?

I have been using the INCAR(VASP) PREC = HIGH ISTART = 0 ISPIN = 1 ICHARG = 2 ##= Parallelization =# ## ###= Ionic Relaxation Settings =# NSW = 500 IBRION = 2 ISIF = 4 POTIM = 0.5 ## ###=...

12 December 2018 2,336 0 View

Can any one help me regarding how to find effective mass of the charge carriers of 2 D materials?

Any software to use ?

11 November 2017 5,732 2 View

How to calculate the dielectric function using vasp ?

Computational nanotechnology . Computational chemistry/physics

05 May 2017 1,602 6 View