Band-structure calculation using meta-GGA functionals

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Revision as of 14:57, 18 May 2022 by Ftran (talk | contribs)

Band-structure calculations with meta-GGA functionals is not as straightforward as for GGA functionals, since the Hamiltonian depends also on the kinetic-energy density. The steps for calculating the band structure with meta-GGA functionals are teh same as for hybrid functionals.

Related tags and articles

KPOINTS, KPOINTS_OPT

References