QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: marmotte on September 26, 2013, 13:03

Title: relativistic effect
Post by: marmotte on September 26, 2013, 13:03

Dear all,

This is a simple question, is it possible to consider relativistic effects from the pseudopotential available in ATK ? I target some materials based on Au, Ag and Cu.

Thank you

Title: Re: relativistic effect
Post by: Anders Blom on September 26, 2013, 15:28

For the elements where it's important, yes, the pseudopotentials are generated relativistically.