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LDA_eval_C_PW< spinID, prec > Struct Template Reference
Exchange-correlation terms

#include <ExCorr_internal_LDA.h>

Public Member Functions

__hostanddev__ double operator() (double rs, double &e_rs) const
 

Detailed Description

template<int spinID, bool prec = true>
struct LDA_eval_C_PW< spinID, prec >

Functor for Perdew-Wang correlation [JP Perdew and Y Wang, Phys. Rev. B 45, 13244 (1992)]

Template Parameters
spinIDCompute paramagnetic for spinID=0, ferromagnetic for spinID=1 and spin-stiffness for spinID=2
precfalse for original PW coefficients, true for higher precision version used in PBE
The documentation for this struct was generated from the following file: