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

29 November 2019 0 8K Report

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, interpretation of SystemLabel.VH and SystemLabel.VT files could not be done. Please help. It would be highly helpful if someone provides references for the same.

Thanking you in anticipation.

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