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Analytical Tetrahedron Method

Implementation of the analytical tetrahedron method.

Source: tetra.jl

Contents

Index

Structs

ZenCore.TetraWeight — Type
TetraWeight

Struct. Integration weights for analytical tetrahedron algorithm.

Members

  • cw -> Blochl corrections for dw.
  • dw -> Density of states weights at the four corners of a given tetrahedron.
  • tw -> Integration weights at the four corners of a given tetrahedron.

Functions

ZenCore.bzint — Function
bzint(z::F64, itet::Array{I64,2}, enk::Array{F64,3})

Compute tetrahedron integrated weights for Brillouin zone integration. It is used to calculate (partial) density of states.

See also: gauss_weight, fermi_weight, tetra_weight.

ZenCore.gauss_weight — Function
gauss_weight(z::F64, e::Array{F64,1})

Gaussian broadening algorithm for (integrated) density of states and relevant integration weights.

See also: TetraWeight.

ZenCore.fermi_weight — Function
fermi_weight(z::F64, e::Array{F64,1})

Fermi-Dirac broadening algorithm for (integrated) density of states and relevant integration weights.

See also: TetraWeight.

ZenCore.tetra_weight — Function
tetra_weight(z::F64, e::Array{F64,1})

Peter E. Blochl algorithm for (integrated) density of states and relevant integration weights. Blochl corrections are taken into considersions as well. See Phys. Rev. B, 49, 16223 (1994) for more details.

See also: TetraWeight.