module_charge Namespace Reference

Functions
void	chgmixing_ks (const int iter, UnitCell &ucell, elecstate::ElecState *pelec, Charge &chr, Charge_Mixing *p_chgmix, const int nrxx, double &drho, bool &oscillate_esolver, bool &conv_esolver, const double &hsolver_error, const double &scf_thr, const double &scf_ene_thr, const Input_para &inp)
void	chgmixing_ks_pw (const int iter, Charge_Mixing *p_chgmix, const Input_para &inp)
void	chgmixing_ks_lcao (const int iter, Charge_Mixing *p_chgmix, const int nnr, const Input_para &inp)

Function Documentation

chgmixing_ks()

void module_charge::chgmixing_ks	(	const int	iter,
		UnitCell &	ucell,
		elecstate::ElecState *	pelec,
		Charge &	chr,
		Charge_Mixing *	p_chgmix,
		const int	nrxx,
		double &	drho,
		bool &	oscillate_esolver,
		bool &	conv_esolver,
		const double &	hsolver_error,
		const double &	scf_thr,
		const double &	scf_ene_thr,
		const Input_para &	inp
	)

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chgmixing_ks_lcao()

void module_charge::chgmixing_ks_lcao	(	const int	iter,
		Charge_Mixing *	p_chgmix,
		const int	nnr,
		const Input_para &	inp
	)

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chgmixing_ks_pw()

void module_charge::chgmixing_ks_pw	(	const int	iter,
		Charge_Mixing *	p_chgmix,
		const Input_para &	inp
	)

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