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

Static Public Member Functions

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

Detailed Description

Definition at line 74 of file smearing.hpp.

Member Function Documentation

◆ dxdelta()

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

Second derivative of occupation function.

\[ -\frac{e^{x/w} \left(e^{x/w}-1\right)}{w^2 \left(e^{x/w}+1\right)^3} \]

Definition at line 64 of file smearing.cpp.

◆ delta()

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

Definition at line 35 of file smearing.cpp.

◆ occupancy()

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

Definition at line 42 of file smearing.cpp.

◆ entropy()

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

Definition at line 48 of file smearing.cpp.


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