Dear Siesters,
Having no much idea how to proceed and practice the ferroelectric properties
with SIESTA.
I calculated the band structure and lattice parameters of BaTiO3. Now I want to
study its electric polarization.
Can any one guide me how to proceed with SIESTA for ferroelectric properties of
BaTiO3 as an example study. How can we model AnitiFerroelectricity with SIESTA.
I will be thankful, if some can guide me (step by step) or provide me some
helping input files to study the Ferroelectric properties of BaTiO3.
Mic
