QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dipankar Saha on March 22, 2019, 15:36

Title: Hybrid DFT SCF Loop
Post by: Dipankar Saha on March 22, 2019, 15:36

Hi,

1) what is meant by_ "no. of exact exchange iterations" ?
2) what is meant by_ "no. of exact exchange operator updates" ?

Best_
Dipankar

Title: Re: Hybrid DFT SCF Loop
Post by: Petr Khomyakov on March 23, 2019, 21:57

Please take a look this manual page https://docs.quantumatk.com/manual/technicalnotes/hybrid_functionals/hybrid_functionals.html and references therein.

Title: Re: Hybrid DFT SCF Loop
Post by: Dipankar Saha on March 24, 2019, 09:54

Thank you Petr for the details !  :)