constants.h File Reference

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Namespaces
namespace	dftfe

Functions
template<unsigned int FEOrder>
constexpr unsigned int	dftfe::C_num1DQuad ()
	1d quadrature rule order
constexpr unsigned int	dftfe::C_num1DQuadSmearedCharge ()
	1d quad rule smeared nuclear charge
constexpr unsigned int	dftfe::C_numCopies1DQuadSmearedCharge ()
	number of copies 1d quad rule smeared nuclear charge
constexpr unsigned int	dftfe::C_num1DQuadSmearedChargeHigh ()
constexpr unsigned int	dftfe::C_numCopies1DQuadSmearedChargeHigh ()
constexpr unsigned int	dftfe::C_num1DQuadSmearedChargeStress ()
	1d quad rule smeared nuclear charge if cell stress calculation is on
constexpr unsigned int	dftfe::C_numCopies1DQuadSmearedChargeStress ()
template<unsigned int FEOrder, unsigned int FEOrderElectro>
constexpr unsigned int	dftfe::C_rhoNodalPolyOrder ()
	rho nodal polynomial order
template<unsigned int FEOrder>
constexpr unsigned int	dftfe::C_num1DQuadNLPSP ()
	1d quadrature rule order for non-local part of pseudopotential
constexpr unsigned int	dftfe::C_numCopies1DQuadNLPSP ()
	number of copies 1d quad rule non-local PSP
template<unsigned int FEOrder>
constexpr unsigned int	dftfe::C_num1DQuadLPSP ()
	1d quadrature rule order for local part of pseudopotential
constexpr unsigned int	dftfe::C_numCopies1DQuadLPSP ()
	number of copies 1d quad rule local PSP

Variables
const double	dftfe::C_kb = 3.166811429e-06
	Boltzmann constant.
const double	dftfe::C_haPerBohrToeVPerAng = 27.211386245988 / 0.529177210903
const double	dftfe::C_haToeV = 27.211386245988
const double	dftfe::C_bohrToAng = 0.529177210903
const double	dftfe::C_pi = 3.14159265359
const double	dftfe::C_AngToBohr = 1.0 / 0.529177210903