exchangecorrelations Module Reference

integer, parameter	perdew_zunger =0
integer, parameter	von_barth_hedin =1
integer, parameter	gunnarsson_lundqvist =2
integer, parameter	perdew_wang =3
function	uxc (r, s, ispin, ixc)
real(8) function	uxcgun (x)
double precision function	uxcpw (n, s, ispin)
function	exc (r, s, ixc)
double precision function	excpw (n, s)
real(8) function	excgun (x)

Member Function/Subroutine Documentation

function exchangecorrelations::exc	(		r,
			s,
			ixc
	)

References excgun(), excpw(), and fx.

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real(8) function exchangecorrelations::excgun

(

real(8)

x)

Referenced by exc().

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double precision function exchangecorrelations::excpw	(	double precision	n,
		double precision	s
	)

Referenced by exc(), and uxcpw().

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function exchangecorrelations::uxc	(		r,
			s,
			ispin,
			ixc
	)

References uxcgun(), and uxcpw().

Referenced by localmatrix().

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real(8) function exchangecorrelations::uxcgun

(

real(8)

x)

Referenced by uxc().

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double precision function exchangecorrelations::uxcpw	(	double precision	n,
		double precision	s,
		integer	ispin
	)

References excpw().

Referenced by uxc().

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Member Data Documentation

integer, parameter exchangecorrelations::gunnarsson_lundqvist =2

integer, parameter exchangecorrelations::perdew_wang =3

integer, parameter exchangecorrelations::perdew_zunger =0

integer, parameter exchangecorrelations::von_barth_hedin =1

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

• ExchangeCorrelations.src