This directory contains an example of how to compute the
I-V characteristics of a simple system.

You will notice that calculating the I-V characteristics takes 
a lot of time.

The basics of calculating the I-V characteristics is that you need to
calculate transiesta SCF for each bias and calculate the transmission
for each of those converged SCF's.

Consider this for loop as a method to compute the I-V characteristics

for V in 0. 0.15 0.3 0.45 0.6 0.75 0.9 1.05 ; do
   cd V$V
   transiesta < system.fdf > system.out
   tbtrans < system.fdf > system.tbt-out
   cd ../
done

I have created a script which does this for you.
What is important is that you SHOULD re-use the guess for the density matrix
from the previous bias level. This will heavily decrease convergence time and
will increase the possibility of convergence.

To run and calculate the I-V curve just run:
 $> cd ..
 $> ./run-09.sh
Then you can plot a file:
 $> xmgrace IV.dat
or use your favorite plotting utility.
