Sajid Ur Rehman

2 Questions 4 Answers 0 Followers

Questions related from Sajid Ur Rehman

How to calculate electrostatic potential by CASTEP?

Hi Dear Researchers, I am a CASTEP user and I want to calculate electrostatic potential of 2D materials by hybrid potential (HSE03 or HSE06). As per guidlines...

10 October 2020 8,679 3 View

How can we find the formation energy and enthalpy of formation in CASTEP?

i want to calculate the formation energy and enthalpy of formation in CASTEP. i know the equations (attachment) but i dont know where i can find the values of these terms from CASTEP? Looking...

10 March 2017 5,153 2 View