---

PW91CFunctional Class Reference

The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional. More...

#include <functional.h>

Inheritance diagram for PW91CFunctional

[legend]Collaboration diagram for PW91CFunctional:

[legend]List of all members.

Public Methods
	PW91CFunctional ()
	PW91CFunctional (const Ref< KeyVal > &)
	PW91CFunctional (StateIn &)
	~PW91CFunctional ()
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More...
int	need_density_gradient ()
void	point (const PointInputData &, PointOutputData &)
void	set_spin_polarized (int)
Protected Methods
void	init_constants ()
double	limit_df_drhoa (double rhoa, double gamma, double ec, double decdrhoa)
Protected Attributes
Ref<LSDACFunctional>	local_
double	a
double	b
double	c
double	d
double	alpha
double	c_c0
double	c_x
double	nu

---

Detailed Description

The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional.

J. P. Perdew, Proceedings of the 75. WE-Heraeus-Seminar and 21st Annual International Symposium on Electronic Structure of Solids held in Gaussig (Germany), March 11-15, 1991, P. Ziesche and H. Eschrig, eds., pp. 11-20.

J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B, 46, 6671, 1992.

---

Member Function Documentation

void PW91CFunctional::save_data_state ( StateOut & s ) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data. Reimplemented from DenFunctional.

---

The documentation for this class was generated from the following file:

• functional.h

---