Class Numerical_Nonlocal_Lm

• Defined in File ORB_nonlocal_lm.h

Class Documentation

class Numerical_Nonlocal_Lm

CLASS

Note : contain information about each projector all features of projector’s shape

AUTHOR : liaochen

DATE : 2008-03-04

Public Functions

Numerical_Nonlocal_Lm()

use Polynomial_Interpolation_xy, Spherical_Bessel use SplineD2

~Numerical_Nonlocal_Lm()

inline const int &getL() const

inline const int &getType() const

inline const double &getRcut() const

inline const double *getRadial() const

inline const double &getRadial(const int &ir) const

inline const double *getBeta_r() const

inline const double &getBeta_r(const int &ir) const

inline const double &getDk() const

inline const double *getKpoint() const

inline const double &getKpoint(const int &ik) const

inline const double *getBeta_k() const

inline const double &getBeta_k(const int &ik) const

Numerical_Nonlocal_Lm &operator=(const Numerical_Nonlocal_Lm &nol)

void set_NL_proj(const string &label, const int &index_atom_type_in, const int &angular_momentum_l_in, const int &nr_in, const double *rab_in, const double *r_radial_in, const double *beta_r_in, const int &nk_in, const double &dk_in, const double &dr_uniform_in)

void plot(const int &my_rank) const

Public Members

double *beta_uniform

double *dbeta_uniform

int nr_uniform

double dr_uniform