QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: exenGT on October 21, 2017, 23:59

Title: Use ATK pseudopotentials in SIESTA
Post by: exenGT on October 21, 2017, 23:59

Dear All,

I'm interested in testing ATK pseudopotentials in SIESTA. Is there a way to find the pseudopotentials? And are they compatible with SIESTA?

Thanks!

Title: Re: Use ATK pseudopotentials in SIESTA
Post by: Petr Khomyakov on October 23, 2017, 09:39

We do not provide pseudopotentials for the use in other codes. However, these pseudopotentials are standard ones, so you may download them from the web, e.g., http://www.quantum-simulation.org/potentials/sg15_oncv/. Which pseudopotentials are compatible with SIESTA, it is a question to SIESTA developers. Please consult their website.