cal_pdos_multik.h

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#ifndef CAL_PDOS_MULTIK_H
#define CAL_PDOS_MULTIK_H
 
#include "source_base/matrix.h"
#include "source_cell/klist.h"  // use K_Vectors
#include "source_psi/psi.h"     // use psi::Psi<T>
#include "source_hamilt/hamilt.h" // use hamilt::Hamilt<T>
#include "source_basis/module_ao/parallel_orbitals.h" // use Parallel_Orbitals
 
namespace ModuleIO
{
 
    // pdos for multi-k point
    void cal_pdos(
            const psi::Psi<std::complex<double>>* psi,
            hamilt::Hamilt<std::complex<double>>* p_ham,
            const Parallel_Orbitals& pv,
            const UnitCell& ucell,
            const K_Vectors& kv,
            const int nspin0,
            const int nbands,
            const ModuleBase::matrix& ekb,
            const double& emax,
            const double& emin,
            const double& dos_edelta_ev,
            const double& bcoeff);
 
    void print_tdos_multik(
            const ModuleBase::matrix* pdos,
            const int nlocal,
            const int npoints,
            const double& emin,
            const double& dos_edelta_ev);
 
    void print_pdos_multik(
            const UnitCell& ucell,
            const ModuleBase::matrix* pdos,
            const int nlocal,
            const int npoints,
            const double& emin,
            const double& dos_edelta_ev);
 
}
 
#endif