Band-structure calculation using meta-GGA functionals: Difference between revisions
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[[:Category:Band structure|Band-structure calculations]] with [[:Category:Meta-GGA|meta-GGA functionals]] are 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 | [[:Category:Band structure|Band-structure calculations]] with [[:Category:Meta-GGA|meta-GGA functionals]] are 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 the same as for [[Band-structure_calculation_using_hybrid_functionals|hybrid functionals]]. | ||
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Revision as of 14:59, 18 May 2022
Band-structure calculations with meta-GGA functionals are 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 the same as for hybrid functionals.