Vidit Zala

2 Questions 2 Answers 0 Followers

Questions related from Vidit Zala

How to calculate work function of an interface in SIESTA using MacroAve?

I am trying to compute work function of various interfaces using SIESTA. I am not being able to determine the limits of the step (filter) function, required for the inputs of MacroAve. Also,...

29 November 2019 7,737 0 View

How to interpret ph.out file in quantum espresso?

Hello, I am trying to calculate properties of crystal using quantum espresso with winmostar. I am not able to interpret the output file and also draw the phonon band structure. Please guide me...

19 July 2018 9,431 2 View