singular_value.h File Reference

#include "gaussian_abfs.h"
#include "source_cell/klist.h"
#include <array>
#include <vector>

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Namespaces
namespace	Singular_Value

Typedefs
using	Singular_Value::T_cal_fq_type = std::function< double(const ModuleBase::Vector3< double > &gk)>
	Calculating correction of Coulomb singularity.
using	Singular_Value::T_cal_fq_type_no = std::function< double()>

Functions
double	Singular_Value::cal_carrier (const UnitCell &ucell, const std::vector< ModuleBase::Vector3< double > > &kvec_c, const int &qdiv, const double &qdense, const int &niter, const double &eps, const int &a_rate)
double	Singular_Value::cal_massidda (const UnitCell &ucell, const std::array< int, 3 > &nmp, const int &qdiv, const double &start_lambda, const int &niter, const double &eps)
double	Singular_Value::solve_chi (const ModuleBase::Matrix3 &G, const std::vector< ModuleBase::Vector3< double > > &kvec_c, const T_cal_fq_type &func_cal_fq, const std::array< int, 3 > &nq_arr, const int &niter, const double &eps, const int &a_rate)
double	Singular_Value::solve_chi (const std::vector< ModuleBase::Vector3< double > > &kvec_c, const T_cal_fq_type &func_cal_fq, const double &fq_int)
double	Singular_Value::solve_chi (const int &nks, const T_cal_fq_type_no &func_cal_fq, const double &fq_int)
double	Singular_Value::sum_for_solve_chi (const std::vector< ModuleBase::Vector3< double > > &kvec_c, const T_cal_fq_type &func_cal_fq, const double &fq_int)
double	Singular_Value::Iter_Integral (const ModuleBase::Matrix3 &G, const T_cal_fq_type &func_cal_fq, const std::array< int, 3 > &nq_arr, const int &niter, const double &eps, const int &a_rate)
double	Singular_Value::fq_carrier (const double &tpiba, const ModuleBase::Vector3< double > &qvec, const int &qdiv, std::vector< ModuleBase::Vector3< double > > &avec, std::vector< ModuleBase::Vector3< double > > &bvec)
double	Singular_Value::fq_massidda (const double &tpiba, Gaussian_Abfs &gaussian_abfs, const int &qdiv, const double &lambda, const int &lmax)