Poonam Mehra

2 Questions 1 Answers 0 Followers

Questions related from Poonam Mehra

How to resolve the error arising in AIMD calculations in VASP for Ti doped CaO?

I am performing MD calculations for Ti doped CaO and got error during this calculation. The error has been attached in the file. Please suggest me how to solve this problem.

17 December 2021 6,752 2 View

What type of structure does borophene have?

I want to calculate band structure of borophene .So i want to know about its crystal structure . Also which K-points are used to plot its band structure.

09 November 2017 7,957 1 View