Nanoparticle-Calculation
Posted: Fri Nov 16, 2007 12:31 am
Hello!
I want to use VASP for Nanoparticle simulation.
Can any one guide me how to start from the begining and what care should be taken during the calculations. I want to do calculations for TiO2 Nanoparticles to study its electrical properties. I know the bulk TiO2 has Rutile structue and i want to consider Rutile only.
I will be very thankful if you somebody gives me some useful tips and suggestions.
Thank you.
I want to use VASP for Nanoparticle simulation.
Can any one guide me how to start from the begining and what care should be taken during the calculations. I want to do calculations for TiO2 Nanoparticles to study its electrical properties. I know the bulk TiO2 has Rutile structue and i want to consider Rutile only.
I will be very thankful if you somebody gives me some useful tips and suggestions.
Thank you.