LDA-SIC

Posted on : September 02, 2015 (Wed) 20:20:39

by Karim

Dear All

I’m wondering if the approximation SIC-LDA is implemented in the code Akai (=Latest version)
in the case YES , what is the subroutine/subroutines which takes into account the approximation SIC-LDA?

Thank you

[Re:01] LDA-SIC

Posted on : September 06, 2015 (Sun) 10:47:11

by Hitoshi

Hello Karim,

As far as I know, the latest stable version cannot calculate SIC (self interaction correlation).
I guess you found some scientific papers, which calculate SIC. It is maybe a developing (beta) version of the AkaiKKR.

Hitoshi