SIRIUS 7.5.0
Electronic structure library and applications
Public Member Functions | Public Attributes | List of all members
sirius::radial_function_index_descriptor Struct Reference

Descriptor for the atomic radial functions. More...

#include <radial_functions_index.hpp>

Public Member Functions

 radial_function_index_descriptor (angular_momentum am__, int order__, rf_index idxrf__, rf_lo_index idxlo__=rf_lo_index(-1))
 

Public Attributes

angular_momentum am
 Total angular momentum. More...
 
int order
 Order of a function for a given \( \ell \). More...
 
rf_lo_index idxlo
 If this is a local orbital radial function, idxlo is it's index in the list of local orbital descriptors. More...
 
rf_index idxrf {-1}
 

Detailed Description

Descriptor for the atomic radial functions.

The radial functions \( f_{\ell \nu}(r) \) are labeled by two indices: orbital quantum number \( \ell \) and an order \( \nu \) for a given \( \ell \). Radial functions can be any of augmented waves or local orbitals (in case of FP-LAPW) or beta projectors, atomic or Hubbard wave functions in case of PP-PW.

Definition at line 146 of file radial_functions_index.hpp.

Constructor & Destructor Documentation

◆ radial_function_index_descriptor()

sirius::radial_function_index_descriptor::radial_function_index_descriptor ( angular_momentum  am__,
int  order__,
rf_index  idxrf__,
rf_lo_index  idxlo__ = rf_lo_index(-1) 
)
inline

Definition at line 159 of file radial_functions_index.hpp.

Member Data Documentation

◆ am

angular_momentum sirius::radial_function_index_descriptor::am

Total angular momentum.

Definition at line 149 of file radial_functions_index.hpp.

◆ order

int sirius::radial_function_index_descriptor::order

Order of a function for a given \( \ell \).

Definition at line 152 of file radial_functions_index.hpp.

◆ idxlo

rf_lo_index sirius::radial_function_index_descriptor::idxlo

If this is a local orbital radial function, idxlo is it's index in the list of local orbital descriptors.

Definition at line 155 of file radial_functions_index.hpp.

◆ idxrf

rf_index sirius::radial_function_index_descriptor::idxrf {-1}

Definition at line 157 of file radial_functions_index.hpp.


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