xc_perdew86 Module Reference

Calculate the Perdew Correlation from 1986. More...

Functions/Subroutines
subroutine, public	p86_lda_info (reference, shortform, needs, max_deriv)
	...
subroutine, public	p86_lda_eval (rho_set, deriv_set, order, p86_params)
	...

Detailed Description

Calculate the Perdew Correlation from 1986.

History

JGH (26.02.2003) : OpenMP enabled fawzi (04.2004) : adapted to the new xc interface

Author

JGH (03.03.2002)

Function/Subroutine Documentation

p86_lda_info()

subroutine, public xc_perdew86::p86_lda_info	(	character(len=*), intent(out), optional	reference,
		character(len=*), intent(out), optional	shortform,
		type(xc_rho_cflags_type), intent(inout), optional	needs,
		integer, intent(out), optional	max_deriv
	)

...

Parameters

reference	...
shortform	...
needs	...
max_deriv	...

Definition at line 93 of file xc_perdew86.F.

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p86_lda_eval()

subroutine, public xc_perdew86::p86_lda_eval	(	type(xc_rho_set_type), intent(in)	rho_set,
		type(xc_derivative_set_type), intent(in)	deriv_set,
		integer, intent(in)	order,
		type(section_vals_type), pointer	p86_params
	)

...

Parameters

rho_set	...
deriv_set	...
order	...
p86_params	...

Definition at line 119 of file xc_perdew86.F.

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