xc_ke_gga Module Reference

Calculate the several different kinetic energy functionals with a GGA form. More...

Functions/Subroutines
subroutine, public	ke_gga_info (functional, lsd, reference, shortform, needs, max_deriv)
	...
subroutine, public	ke_gga_lda_eval (functional, rho_set, deriv_set, order)
	...
subroutine, public	ke_gga_lsd_eval (functional, rho_set, deriv_set, order)
	...

Detailed Description

Calculate the several different kinetic energy functionals with a GGA form.

History

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

Author

JGH (20.02.2002)

Function/Subroutine Documentation

ke_gga_info()

subroutine, public xc_ke_gga::ke_gga_info	(	integer, intent(in)	functional,
		logical, intent(in)	lsd,
		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

functional	...
lsd	...
reference	...
shortform	...
needs	...
max_deriv	...

Definition at line 96 of file xc_ke_gga.F.

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ke_gga_lda_eval()

subroutine, public xc_ke_gga::ke_gga_lda_eval	(	integer, intent(in)	functional,
		type(xc_rho_set_type), intent(in)	rho_set,
		type(xc_derivative_set_type), intent(in)	deriv_set,
		integer, intent(in)	order
	)

...

Parameters

functional	...
rho_set	...
deriv_set	...
order	...

Definition at line 177 of file xc_ke_gga.F.

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ke_gga_lsd_eval()

subroutine, public xc_ke_gga::ke_gga_lsd_eval	(	integer, intent(in)	functional,
		type(xc_rho_set_type), intent(in)	rho_set,
		type(xc_derivative_set_type), intent(in)	deriv_set,
		integer, intent(in), optional	order
	)

...

Parameters

functional	...
rho_set	...
deriv_set	...
order	...

Definition at line 312 of file xc_ke_gga.F.

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