write_dos_lcao.cpp File Reference

#include "write_dos_lcao.h"
#include "cal_dos.h"
#include "cal_pdos_gamma.h"
#include "cal_pdos_multik.h"
#include "nscf_fermi_surf.h"
#include "source_io/module_parameter/parameter.h"

Include dependency graph for write_dos_lcao.cpp:

Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.

Functions
template<typename T >
void	ModuleIO::write_dos_lcao (const psi::Psi< T > *psi, hamilt::Hamilt< T > *p_ham, const Parallel_Orbitals &pv, const UnitCell &ucell, const K_Vectors &kv, const int nbands, const elecstate::efermi &energy_fermi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const double &dos_edelta_ev, const double &dos_scale, const double &bcoeff, const bool out_app_flag, const int istep, std::ofstream &ofs_running)
	calculate density of states(DOS), partial density of states(PDOS), and mulliken charge for LCAO base
template void	ModuleIO::write_dos_lcao (const psi::Psi< double > *psi, hamilt::Hamilt< double > *p_ham, const Parallel_Orbitals &pv, const UnitCell &ucell, const K_Vectors &kv, const int nbands, const elecstate::efermi &energy_fermi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const double &dos_edelta_ev, const double &dos_scale, const double &bcoeff, const bool out_app_flag, const int istep, std::ofstream &ofs_running)
template void	ModuleIO::write_dos_lcao (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 nbands, const elecstate::efermi &energy_fermi, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const double &dos_edelta_ev, const double &dos_scale, const double &bcoeff, const bool out_app_flag, const int istep, std::ofstream &ofs_running)