Elk / Discussion / Elk Developers: DFT+U+V

DFT+U+V

Forum: Elk Developers

Creator: Chang-Jong Kang

Created: 2012-11-20

Updated: 2013-11-13

Chang-Jong Kang - 2012-11-20

Dear Elk developer and users,

Is there any plan to implement DFT+U+V scheme in Elk code? (U : on-site Coulomb U, V : inter-site Coulomb U)

I think this method gives fruitful information in strongly correlated systems.

Regards,
CJ Kang

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J. K. Dewhurst - 2013-11-13

Hi,

There are no plans for this at the moment. It sounds like a good idea though: maybe Lars Nordstrom has this in mind...

Cheers,
Kay.

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