q3::MethfesselPaxtonSmearing Class Reference

Methfessel-Paxton smearing of order N >= 1 (default 1). More...

#include <methfessel_paxton.hpp>

Inheritance diagram for q3::MethfesselPaxtonSmearing:

Public Member Functions
	MethfesselPaxtonSmearing (Real smearing_width=0.0, int order=1)
Real	entropy_weight (Real x) const override
std::string	name () const override
Real	occupation (Real x) const override
	Compute the occupation f(x) where x = (E - E_F) / σ.
int	order () const
	Expansion order N.
Public Member Functions inherited from q3::SmearingScheme
	SmearingScheme (Real smearing_width=0.0)
virtual	~SmearingScheme ()=default
Real	smearing_width () const
	Smearing width σ (degauss) in Ry.
bool	uses_smearing () const
	Whether this scheme uses actual smearing (width > 0).

Additional Inherited Members
Protected Attributes inherited from q3::SmearingScheme
Real	smearing_width_

Detailed Description

Methfessel-Paxton smearing of order N >= 1 (default 1).

Definition at line 33 of file methfessel_paxton.hpp.

Constructor & Destructor Documentation

MethfesselPaxtonSmearing()

q3::MethfesselPaxtonSmearing::MethfesselPaxtonSmearing ( Real  smearing_width = 0.0, int  order = 1  )

inlineexplicit

Definition at line 35 of file methfessel_paxton.hpp.

Member Function Documentation

entropy_weight()

Real q3::MethfesselPaxtonSmearing::entropy_weight ( Real  x ) const

inlineoverridevirtual

−S_N(x) = −½ A_N H_{2N}(x) exp(-x²). For N = 1 this is (2x² − 1) exp(-x²) / (4√π), the original closed form.

Implements q3::SmearingScheme.

Definition at line 68 of file methfessel_paxton.hpp.

References q3::constants::pi.

name()

std::string q3::MethfesselPaxtonSmearing::name ( ) const

inlineoverridevirtual

Implements q3::SmearingScheme.

Definition at line 86 of file methfessel_paxton.hpp.

occupation()

Real q3::MethfesselPaxtonSmearing::occupation ( Real  x ) const

inlineoverridevirtual

Compute the occupation f(x) where x = (E - E_F) / σ.

Implements q3::SmearingScheme.

Definition at line 43 of file methfessel_paxton.hpp.

References q3::constants::pi.

order()

int q3::MethfesselPaxtonSmearing::order ( ) const

inline

Expansion order N.

Definition at line 91 of file methfessel_paxton.hpp.

---

The documentation for this class was generated from the following file:

• src/layer_4_computation/iterator/internal/smearing/methfessel_paxton.hpp