Calculating the Schottky barrier

from ase.build import bulk
from ase.io import write

# --- Aluminum (FCC) ---
al = bulk('Al', 'fcc', a=4.05)
write('POSCAR_Al', al, format='vasp')

# --- Silicon (diamond structure) ---
si = bulk('Si', 'diamond', a=5.43)
write('POSCAR_Si', si, format='vasp')