SIRIUS 7.5.0
Electronic structure library and applications
Static Public Member Functions | List of all members
sirius::smearing::cold Struct Reference

Static Public Member Functions

static double delta (double x__, double width__)
 
static double occupancy (double x__, double width__)
 
static double entropy (double x__, double width__)
 
static double dxdelta (double x__, double width__)
 

Detailed Description

Definition at line 82 of file smearing.hpp.

Member Function Documentation

◆ delta()

double sirius::smearing::cold::delta ( double  x__,
double  width__ 
)
static

Definition at line 86 of file smearing.cpp.

◆ occupancy()

double sirius::smearing::cold::occupancy ( double  x__,
double  width__ 
)
static

Definition at line 72 of file smearing.cpp.

◆ entropy()

double sirius::smearing::cold::entropy ( double  x__,
double  width__ 
)
static

Definition at line 113 of file smearing.cpp.

◆ dxdelta()

double sirius::smearing::cold::dxdelta ( double  x__,
double  width__ 
)
static

Second derivative of the occupation function \(f(x,w)\).

\[ \frac{\partial^2 f(x,w)}{\partial x^2} = \frac{e^{-y^2} \left(2 \sqrt{2} y^2-2 y-\sqrt{2}\right)}{\sqrt{\pi } w^2}, \qquad y=\frac{x}{w} - \frac{1}{\sqrt{2}} \]

Definition at line 101 of file smearing.cpp.


The documentation for this struct was generated from the following files: