QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: qiuweicheng on March 27, 2017, 12:14

Title: How to extract the contribution of an atom in the supercell energy band?
Post by: qiuweicheng on March 27, 2017, 12:14

Hi, I calculat the energy band of C-Ni supercell. How can I to extract the contribution of C atom in whole energy band by AKT? Could you offer the  relevant  py file please?

Title: Re: How to extract the contribution of an atom in the supercell energy band?
Post by: Petr Khomyakov on March 27, 2017, 12:31

This feature is not available in ATK-2016 or older versions, but it will be available in ATK-2017.