QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Om Prakash Upadhyay on October 15, 2016, 12:36

Title: Optical band gap
Post by: Om Prakash Upadhyay on October 15, 2016, 12:36

How ca we find the optical band gap of semiconductor using DFT_ATK????

Title: Re: Optical band gap
Post by: Petr Khomyakov on October 16, 2016, 12:55

For that, you have to calculate the band structure of your semiconductor, e.g., see the tutorial http://docs.quantumwise.com/tutorials/intro_vnl_atk1/intro_vnl_atk1.html.