Class ORB_table_beta

• Defined in File ORB_table_beta.h

Class Documentation

class ORB_table_beta

Public Functions

ORB_table_beta()

~ORB_table_beta()

void allocate(const int &ntype, const int &lmax_in, const int &kmesh_in, const double &Rmax_in, const double &dR_in, const double &dk_in)

void init_NL_Tpair(void)

NL stands for ‘nonlocal’, T stands for atom type. O stands for orbitals.

void init_NL_Opair(LCAO_Orbitals &orb)

void init_Table_Beta(Sph_Bessel_Recursive::D2 *pSB)

void Destroy_Table_Beta(LCAO_Orbitals &orb)

Public Members

double *****Table_NR

bool destroy_nr

int NL_nTpairs

IntArray NL_Tpair

IntArray NL_Opair

IntArray NL_L2plus1

int Rmesh

Public Static Functions

static int get_rmesh(const double &R1, const double &R2)

Public Static Attributes

static double dr = -1.0