Md. Yasir Zamil

4 Questions 12 Answers 0 Followers

Questions related from Md. Yasir Zamil

How can i calculate electron mobility using quantum esspresso?

I want to calculate electron mobility between bilayer 2D materials. how can I do this using quantum espresso DFT simulation pack

21 September 2021 745 4 View

How can I apply strain to a structure in quantum espresso espresso?

I'm trying to apply a certain amount of strain to a structure and extract the electronic changes while using quantum espresso simulation pack, I didn't find the way of applying strain from a...

15 September 2021 6,366 11 View

Can anyone provide a script for twisting a 2D structure clockwise or anticlockwise?

I use quantum espresso simulation pack. I want to rotate my structure 0 to 60 degrees clockwise and get the energy change for every 1 degree of rotation. can anyone help me with a script that will...

08 September 2021 5,305 4 View

Output potential results from quantum espresso and VASP seems not to match. aren't they same?

the magnitude of the output potential from quantum espresso and VASP don't match. I used the same type of pseudopotentials and van der walls. Is it just the units are not the same or something else?

08 September 2021 392 5 View