wavefunc_in_pw.h

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#ifndef WAVEFUNC_IN_PW_H
#define WAVEFUNC_IN_PW_H
 
#include "source_base/complexmatrix.h"
#include "source_base/global_function.h"
#include "source_base/global_variable.h"
#include "source_base/realarray.h"
#include "source_base/vector3.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_pw/module_pwdft/structure_factor.h"
 
//---------------------------------------------------
// FUNCTION: expand the local basis sets into plane
// wave basis sets
//---------------------------------------------------
namespace Wavefunc_in_pw
{
 
    void make_table_q(
        const UnitCell &ucell,
        std::vector<std::string> &orbital_files, 
        ModuleBase::realArray &table_local);
 
    void integral(
        const UnitCell& ucell,
        const int meshr, // number of mesh points 
        const double *psir,
        const double *r,
        const double *rab, 
        const int &l, 
        double* table);
    
    //mohan add 2010-04-20
    double smearing(
        const double &energy_x,
        const double &ecut,
        const double &beta);
 
    void produce_local_basis_in_pw(const UnitCell& ucell,
                                   const int& ik,
                                   const ModulePW::PW_Basis_K* wfc_basis,
                                   const Structure_Factor& sf,
                                   ModuleBase::ComplexMatrix& psi,
                                   const ModuleBase::realArray& table_local);
 
}
#endif