Energy band plot

Posted on : April 14, 2012 (Sat) 13:54:27

by Koji Kobashi

Since the output data on energy band is the Bloch functions in Akai KKR, the energy band (the dispersion curves) cannot be created automatically from the output data. The following is a method to do so using Microsoft Excel.

The energy band data is located in "data" folder. You copy all of them, paste them on an Excel sheet, and rearrange them so that the data are arranged in the way you want. You need to make a macro for this.

Then decide a threshold value, and make a macro so that only the data greater than the threshold value will be plotted on a graph as points, not curves.

Change the threshold value so that you can get the best plot on the graph, or else make graphs for various threshold values and choose the best one later.

Making such macros is not difficult, and it will be good as a homework for your students.