Script for calculating the voltage drop.

[kalewu]

Hey everyone.

I just thought I wanted to share with you a small script for calculate the voltage drop using two selfconsistent calculations
on a twoprobe device.

The usage is straight forward:
1)  perform a calculation of a twoprobe at zero bias and store the results in a netcdf file.
2) Do the same for the finite bias, and store this in another netcdf file.
3) Modify the script to match the names of your two calculations, and run it using atk voltagedrop.py.

Then you are done, and you will recieve the voltage drop in a VNL file for visualization in VNL and the
average voltage drop will be printed to the screen. Alternative you can pipe the screen into a log file and plot it using fx GNUplot.

I have attached the script and I have attached a graph showing the voltage drop calculated using this script for a Li-H2-Li system.

useful, thanks