« previous next »
Pages: [1]   Go Down

Author Topic: ionic pseudopotential  (Read 3490 times)

0 Members and 1 Guest are viewing this topic.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
ionic pseudopotential
« 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+)?
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: ionic pseudopotential
« Reply #1 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 .
Logged
Pages: [1]   Go Up
« previous next »