cal_pdos_gamma.h File Reference

#include "source_base/matrix.h"
#include "source_cell/klist.h"
#include "source_psi/psi.h"
#include "source_hamilt/hamilt.h"
#include "source_basis/module_ao/parallel_orbitals.h"

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

Functions
void	ModuleIO::cal_pdos (const psi::Psi< double > *psi, hamilt::Hamilt< 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	ModuleIO::print_tdos_gamma (const ModuleBase::matrix *pdos, const int nlocal, const int npoints, const double &emin, const double &dos_edelta_ev)
void	ModuleIO::print_pdos_gamma (const UnitCell &ucell, const ModuleBase::matrix *pdos, const int nlocal, const int npoints, const double &emin, const double &dos_edelta_ev)