cal_nelec_nband.cpp File Reference

#include "cal_nelec_nband.h"
#include "source_base/constants.h"
#include "source_io/module_parameter/parameter.h"

Include dependency graph for cal_nelec_nband.cpp:

Namespaces
namespace	elecstate

Functions
void	elecstate::cal_nelec (const Atom *atoms, const int &ntype, double &nelec)
	calculate the total number of electrons in system
void	elecstate::cal_nbands (const int &nelec, const int &nlocal, const std::vector< double > &nelec_spin, int &nbands)
	Calculate the number of bands.