#include <functional.h>
Inheritance diagram for sc::PW92LCFunctional:
Public Member Functions | |
PW92LCFunctional (const Ref< KeyVal > &) | |
PW92LCFunctional (StateIn &) | |
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. | |
void | point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) |
Protected Member Functions | |
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) |
This local correlation functional is used in PW91 and PBE.
J. P. Perdew and Y. Wang. Phys. Rev. B, 45, 13244, 1992.
void sc::PW92LCFunctional::save_data_state | ( | StateOut & | ) | [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 sc::LSDACFunctional.