QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: bsb_2015 on April 21, 2015, 19:45

Title: Reg. Potentials
Post by: bsb_2015 on April 21, 2015, 19:45

Dear all,
Let me know that potentials m-BJ and HSE are in our tool if yes than which name if no then any other equivalent of these functions.
 Thanks

Title: Re: Reg. Potentials
Post by: Anders Blom on April 21, 2015, 21:58

HSE is not, but if by m-BJ you mean the exchange-correlation from Tran & Blaha, Phys. Rev. Lett. 102, 226401 (2009), then this is called Meta-GGA (MGGA) TB09 in ATK.