Surinder Kaur

4 Questions 4 Answers 0 Followers

Questions related from Surinder Kaur

How to apply strain on a two-dimensional sheet using VASP?

Hi everyone, Greetings of the Day! I want to apply uniaxial-strain to a two-dimensional sheet. I read about it in the past queries. I know that I need to make...

26 May 2020 5,576 0 View

Is Phonon dispersion calculation required for defected two dimensional sheet?

Hi Everyone, I am a newbie to VASP code. I am studing the effect of vacancy or doping of non-metal atom in two-dimensional nano sheets. Before adding vacancy or impurity,...

12 July 2019 3,934 3 View

Why bonds are breaking while relaxing a two dimensional sheet?

Hi everyone, My query might look silly but I am new to VASP. I am trying to reproduce few results for learning purpose. I took a two dimensional MoSSe sheet. I have added...

28 June 2019 6,522 3 View

How to calculate zero point energy and entropy for adsorbed atom using VASP code?

Hello Everyone! I am trying to calculate the change in Gibbs free for the adsorption of an atom on the two-dimensional sheet using VASP code. I have calculated...

01 January 1970 2,753 2 View