cal_nelec_nband.h File Reference

#include "source_cell/atom_spec.h"

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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.