Sridevi Krish

3 Questions 2 Answers 0 Followers

Questions related from Sridevi Krish

How to generate a incommensurate Supercell POSCAR for VASP?

Hello All, I have a 1x1x1 POSCAR, I need o make a 3 square root 3X1X1 supercell. I understand VESTA cannot make it, are there online tools available for generating this? I have attached my...

10 October 2016 7,003 5 View

MoS2 z-Nanoribbons band structure?

Hello Everyone, I am trying to get the zigzag bandstructure of MoS2 Nanoribbons, I created the unit cell using VESTA, and then I relaxed the structure and did a static calculation and then a...

08 August 2016 4,970 1 View

How to make a monolayer from bulk using vesta? why do we first construct a supercell for doing this?

I am trying to get a ML out of a bulk structure, I have a couple of questions. what is the use of the xyz file? why do we construct supercells before cleaving along the various planes? Thanks!

08 August 2016 3,316 0 View