QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on May 31, 2018, 09:58

Title: ionic pseudopotential
Post by: ams_nanolab on May 31, 2018, 09:58
Is it possible to define ions in ATK? And how we can find/build the pseudopotentials required for calculation of ions (e.g. Li+, Na+)?
Title: Re: ionic pseudopotential
Post by: Petr Khomyakov on May 31, 2018, 12:14
Take a look at this Forum topic and links therein, https://quantumwise.com/forum/index.php?topic=5707.msg24458#msg24458 .