Sayandeep Ghosh

4 Questions 6 Answers 0 Followers

Questions related from Sayandeep Ghosh

Band Unfolding In QE ?

How to perform the band unfolding calculations using Quantum Espresso V 7.0.

02 January 2023 2,671 13 View

Bandup in Quantum Espresso

I was trying to install bandup (https://github.com/band-unfolding/bandup) in Quantum Espresso, to do the band unfolding calculations. However when I am trying to build it as recomendated it is...

01 January 1970 6,568 1 View

Partial DOS of d-orbitals based on the local axis using Quantum Espresso

I tried to obtain the partial DOS of d-orbitals based on the local axis using Quantum Espresso. There is an input tag that allows the calculation of the PDOS on the local axis. Which is given...

01 January 1970 6,577 0 View

Occupation number in QE ?

How to calculate/determine occupation number in Quantum Espresso ?

01 January 1970 3,115 1 View