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Public Member Functions | List of all members
q3::FixedOccupation Class Reference

Fixed occupations (insulators): step function. More...

#include <fixed.hpp>

+ Inheritance diagram for q3::FixedOccupation:

Public Member Functions

 FixedOccupation ()
 
Real entropy_weight (Real) const override
 Compute the entropy contribution δ(x) weight.
 
std::string name () const override
 
Real occupation (Real x) const override
 Compute the occupation f(x) where x = (E - E_F) / σ.
 
- 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

Fixed occupations (insulators): step function.

Definition at line 15 of file fixed.hpp.

Constructor & Destructor Documentation

◆ FixedOccupation()

q3::FixedOccupation::FixedOccupation ( )
inline

Definition at line 17 of file fixed.hpp.

Member Function Documentation

◆ entropy_weight()

Real q3::FixedOccupation::entropy_weight ( Real  x) const
inlineoverridevirtual

Compute the entropy contribution δ(x) weight.

Implements q3::SmearingScheme.

Definition at line 22 of file fixed.hpp.

◆ name()

std::string q3::FixedOccupation::name ( ) const
inlineoverridevirtual

Implements q3::SmearingScheme.

Definition at line 25 of file fixed.hpp.

◆ occupation()

Real q3::FixedOccupation::occupation ( Real  x) const
inlineoverridevirtual

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

Implements q3::SmearingScheme.

Definition at line 19 of file fixed.hpp.

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