DFT+U+V

2012-11-20
2013-11-13
  • Chang-Jong Kang

    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

     
  • John Kay Dewhurst

    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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