Sanchari Bhattacharya

2 Questions 1 Answers 0 Followers

Questions related from Sanchari Bhattacharya

Asking for Dangling Bond Calculations in Quantum Espresso?

I am using Quantum Espresso for Oxide heterostructure calculation. I want to include Dangling bonds in the calculations? Can anyone please help me?

19 January 2023 8,865 1 View

Crystal to Angstrom Conversion?

Hi, I am working in Quantum Espresso. I have calculated the band structure by taking k-points from XCrysden, and the unit is in "crystal". I need those values in Angstrom. How to convert? Can...

02 November 2022 5,305 1 View