smearing.hpp File Reference

Smearing functions used in finding the band occupancies. More...

Go to the source code of this file.

Classes
struct	sirius::smearing::gaussian
struct	sirius::smearing::fermi_dirac
struct	sirius::smearing::cold
struct	sirius::smearing::methfessel_paxton

Namespaces
module	sirius
	Namespace of the SIRIUS library.
namespace	sirius::smearing
	Occupancy smearing functions.

Enumerations
enum class	smearing_t { gaussian , fermi_dirac , cold , methfessel_paxton }

Functions
smearing_t	sirius::smearing::get_smearing_t (std::string name__)
std::function< double(double)>	sirius::smearing::occupancy (smearing_t type__, double width__)
std::function< double(double)>	sirius::smearing::entropy (smearing_t type__, double width__)
std::function< double(double)>	sirius::smearing::delta (smearing_t type__, double width__)
std::function< double(double)>	sirius::smearing::dxdelta (smearing_t type__, double width__)

Detailed Description

Smearing functions used in finding the band occupancies.

Definition in file smearing.hpp.