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Status of meta-GGAs from libxc in current version of Elk

Elk Users
2016-08-03
2016-08-04
  • John J. Low

    John J. Low - 2016-08-03

    I noticed that in the pdf file entilted "Development of the Elk LAPW code" that metafunctionals have been added to Elk code. However, the users manual for ELK states that "Elk can use the complete set of LDA and GGA functionals available in Libxc as well as the potential-only metaGGA’s.". Does version 3.3.17 of Elk support meta-GGA functionals or just potential-only metaGGA's?

     
  • Markus

    Markus - 2016-08-04

    It's still potential-only, e.g. mBJLDA. GPAW and presumably abinit support the metaGGA energy-functionals from LibXC.

    Regards,
    Markus

     

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