QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Om Prakash Upadhyay on December 5, 2016, 11:33

Title: Exchange Integral
Post by: Om Prakash Upadhyay on December 5, 2016, 11:33

hello....
how can we find total energy difference between the antiferromagnetic and ferromagnetic states using ATK-DFT. Please anyone can reply with a brief toturial.

Title: Re: Exchange Integral
Post by: Petr Khomyakov on December 5, 2016, 12:10

Please follow the discussion at http://quantumwise.com/forum/index.php?topic=4748.msg20620#msg20620.