Detailed Description

Definition at line 152 of file simplex.F90.

Private Member Functions
subroutine	simplex_weights_single (rdim, esimplex, eF, weights, dos)
	Get the weights and DOS contribution of a single simplex. More...

subroutine	simplex_weights_array (rdim, esimplex, eFs, weights, dos)
	Get the weights and DOS contribution of a single simplex for multiple reference energies. More...

Member Function/Subroutine Documentation

subroutine simplex_oct_m::simplex_weights::simplex_weights_single	(	integer, intent(in)	rdim,
		real(real64), dimension(:), intent(in)	esimplex,
		real(real64), intent(in)	eF,
		real(real64), dimension(:), intent(out)	weights,
		real(real64), dimension(:), intent(out)	dos
	)

private

Get the weights and DOS contribution of a single simplex.

Parameters

[in]	rdim	Reduced dimension of the problem (non-zero dimensions in k-space)
[in]	esimplex	Eigenenergies on the corner points of a simplex
[in]	eFs	Reference energies
[out]	weights	Integration weights for each corner of the segment, indexed as (vertex, energy)
[out]	dos	Contribution to the DOS by the segment, indexed as (vertex, energy)

Definition at line 500 of file simplex.F90.

subroutine simplex_oct_m::simplex_weights::simplex_weights_array	(	integer, intent(in)	rdim,
		real(real64), dimension(:), intent(in)	esimplex,
		real(real64), dimension(:), intent(in)	eFs,
		real(real64), dimension(:,:), intent(out)	weights,
		real(real64), dimension(:,:), intent(out)	dos
	)

private

Get the weights and DOS contribution of a single simplex for multiple reference energies.

Parameters

[in]	rdim	Reduced dimension of the problem (non-zero dimensions in k-space)
[in]	esimplex	Eigenenergies on the corner points of a simplex
[in]	eFs	Reference energies
[out]	weights	Integration weights for each corner of the simplex, indexed as (vertex, energy)
[out]	dos	Contribution to the DOS by the simplex, indexed as (vertex, energy)

Definition at line 523 of file simplex.F90.

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