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sc::PW91XFunctional Class Reference The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional. More... #include <functional.h> Inheritance diagram for sc::PW91XFunctional: [legend]Collaboration diagram for sc::PW91XFunctional: [legend]List of all members. Public Methods   PW91XFunctional ()   PW91XFunctional (const Ref< KeyVal > &)   PW91XFunctional (StateIn &)   ~PW91XFunctional () 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 &) Protected Methods void  spin_contrib (const PointInputData::SpinData &, double &mpw, double &dmpw_dr, double &dmpw_dg) void  init_constants () Protected Attributes double  a double  b double  c double  d double  a_x Detailed Description The Perdew-Wang 1991 exchange 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 sc::PW91XFunctional::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::DenFunctional. The documentation for this class was generated from the following file: functional.h