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PW92LCFunctional Class Reference

Implements the PW92 local (LSDA) correlation term. More...

#include <functional.h>

Inheritance diagram for PW92LCFunctional

[legend]Collaboration diagram for PW92LCFunctional:

[legend]List of all members.

Public Methods
	PW92LCFunctional ()
	PW92LCFunctional (const Ref< KeyVal > &)
	PW92LCFunctional (StateIn &)
	~PW92LCFunctional ()
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...
void	point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)
Protected Methods
double	F (double x, double A, double alpha_1, double beta_1, double beta_2, double beta_3, double beta_4, double p)
double	dFdr_s (double x, double A, double alpha_1, double beta_1, double beta_2, double beta_3, double beta_4, double p)

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Detailed Description

Implements the PW92 local (LSDA) correlation term.

This local correlation functional is used in PW91 and PBE.

J. P. Perdew and Y. Wang. Phys. Rev. B, 45, 13244, 1992.

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Member Function Documentation

void PW92LCFunctional::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 LSDACFunctional.

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

• functional.h

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