cal_dos.h File Reference

#include <vector>
#include "source_base/matrix.h"
#include "source_estate/fp_energy.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::prepare_dos (std::ofstream &ofs_running, const elecstate::efermi &energy_fermi, const ModuleBase::matrix &ekb, const int nks, const int nbands, const double &dos_edelta_ev, const double &dos_scale, double &emax, double &emin)
bool	ModuleIO::cal_dos (const int &is, const std::string &fn, const double &de_ev, const double &emax_ev, const double &emin_ev, const double &bcoeff, const int &nks, const int &nkstot, const std::vector< double > &wk, const std::vector< int > &isk, const int &nbands, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg)