QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: manishk19 on January 17, 2018, 19:33

Title: PAW
Post by: manishk19 on January 17, 2018, 19:33

Hello Sir,
Please tell me how can I apply PAW in atk

Title: Re: PAW
Post by: Petr Khomyakov on January 17, 2018, 21:28

The PAW is not implemented in the QuantumATK yet.

Title: Re: PAW
Post by: manishk19 on January 18, 2018, 11:22

Sir,
Is there any method or trick in atk with which I can get same results as obtained by PAW.

Title: Re: PAW
Post by: Petr Khomyakov on January 18, 2018, 13:03

No. In the QuantumATK, only norm-conserving pseudopotentials are implemented, not PAW.