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TB_Parameter Class Reference
Collaboration diagram for TB_Parameter:
Collaboration graph
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Public Member Functions

int type_from_element (const int el) const
 
void read (const std::string &res_dir, const std::string &filename)
 
void print (const std::string &filename) const
 
void setNZero ()
 
void setCZero ()
 
bool check_symmetry () const
 
void initialize ()
 
 TB_Parameter (const std::string &res_dir, const std::string &filename)
 

Public Attributes

int element [2]
 
double lattice_constant [3]
 
Lattice lat
 
std::string latticefile
 
union {
   double   parvec [TBPARAM_PARVEC_SIZE]
 
   struct {
      double   E_s [2]
 
      double   E_p [2]
 
      double   E_pz [2]
 
      double   E_sstar [2]
 
      double   E_d [2]
 
      double   Delta_so [2]
 
      double   T_sp [2]
 
      double   T_ssstar [2]
 
      double   T_psstar [2]
 
      double   T_sd [2]
 
      double   T_pd_sigma [2]
 
      double   T_pd_pi [2]
 
      double   T_dsstar [2]
 
      double   T_ss
 
      double   T_sstarsstar
 
      double   T_pp_sigma
 
      double   T_pp_pi
 
      double   T_dd_sigma
 
      double   T_dd_pi
 
      double   T_dd_delta
 
      double   C_sp [2]
 
      double   C_ssstar [2]
 
      double   C_psstar [2]
 
      double   C_sd [2]
 
      double   C_pd [2]
 
      double   C_dsstar [2]
 
      double   C_ss
 
      double   C_pp
 
      double   C_sstarsstar
 
      double   C_dd
 
      double   N_sp [2]
 
      double   N_ssstar [2]
 
      double   N_psstar [2]
 
      double   N_sd [2]
 
      double   N_pd_sigma [2]
 
      double   N_pd_pi [2]
 
      double   N_dsstar [2]
 
      double   N_ss
 
      double   N_sstarsstar
 
      double   N_pp_sigma
 
      double   N_pp_pi
 
      double   N_dd_sigma
 
      double   N_dd_pi
 
      double   N_dd_delta
 
      double   E_strain_shift [2]
 
      double   Surface_shift [2]
 
      double   C_diag [2]
 
   } 
 
}; 
 

Static Public Attributes

static const int TBPARAM_PARVEC_SIZE =(13*2+7+6*2+4+7*2+7+3*2)
 

The documentation for this class was generated from the following files: