Wavefunc_in_pw Namespace Reference

Functions
void	make_table_q (const UnitCell &ucell, std::vector< std::string > &orbital_files, ModuleBase::realArray &table_local)
void	integral (const UnitCell &ucell, const int meshr, const double *psir, const double *r, const double *rab, const int &l, double *table)
double	smearing (const double &energy_x, const double &ecut, const double &beta)
void	produce_local_basis_in_pw (const UnitCell &ucell, const int &ik, const ModulePW::PW_Basis_K *wfc_basis, const Structure_Factor &sf, ModuleBase::ComplexMatrix &psi, const ModuleBase::realArray &table_local)

Function Documentation

integral()

void Wavefunc_in_pw::integral	(	const UnitCell &	ucell,
		const int	meshr,
		const double *	psir,
		const double *	r,
		const double *	rab,
		const int &	l,
		double *	table
	)

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make_table_q()

void Wavefunc_in_pw::make_table_q	(	const UnitCell &	ucell,
		std::vector< std::string > &	orbital_files,
		ModuleBase::realArray &	table_local
	)

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produce_local_basis_in_pw()

void Wavefunc_in_pw::produce_local_basis_in_pw	(	const UnitCell &	ucell,
		const int &	ik,
		const ModulePW::PW_Basis_K *	wfc_basis,
		const Structure_Factor &	sf,
		ModuleBase::ComplexMatrix &	psi,
		const ModuleBase::realArray &	table_local
	)

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smearing()

double Wavefunc_in_pw::smearing	(	const double &	energy_x,
		const double &	ecut,
		const double &	beta
	)

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