In each subdir you have a fdf for Bulk-Fe (BCC). The only different is the SCF mixing
 scheme (Pulay vs Broyden, consult the Siesta manual).   

Compare the number of SCF steps and the final results.
Vary the electronic temperature and compare the Khon-Sam energy with the FreeEnergy.
How does the electronic temperature influence the SCF convergence? 
Can you use higher values of the DM mixing parameter?

If you want to start from scratch execute (in a subdir): "make clean" and all the
 unnecesary files will be removed.
