SIRIUS 7.5.0
Electronic structure library and applications
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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__) |
Smearing functions used in finding the band occupancies.
Definition in file smearing.hpp.