SIRIUS 7.5.0
Electronic structure library and applications
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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} |
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.
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inline |
Definition at line 159 of file radial_functions_index.hpp.
angular_momentum sirius::radial_function_index_descriptor::am |
Total angular momentum.
Definition at line 149 of file radial_functions_index.hpp.
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.
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.
rf_index sirius::radial_function_index_descriptor::idxrf {-1} |
Definition at line 157 of file radial_functions_index.hpp.