ps_hgh_oct_m Module Reference

Data Types
type	ps_hgh_t
	The following data type contains: (a) the pseudopotential parameters, as read from a *.hgh file, (b) auxiliary intermediate functions, to store stuff before passing it to the "ps" variable. More...

Functions/Subroutines
subroutine, public	hgh_init (psp, filename, namespace)
subroutine, public	hgh_end (psp)
subroutine, public	hgh_process (psp, namespace)
subroutine, public	hgh_get_eigen (psp, eigen)
integer function	load_params (unit, params, namespace)
subroutine	get_cutoff_radii (psp)
subroutine	vlocalr_scalar (r, np, p, vloc)
subroutine	projectorr_scalar (r, np, p, i, l, proj)
subroutine	solve_schroedinger (psp, ierr, namespace)
subroutine, public	hgh_debug (psp, dir, namespace)

Variables
real(real64), parameter	eps = 1.0e-8_real64

Function/Subroutine Documentation

hgh_init()

subroutine, public ps_hgh_oct_m::hgh_init	(	type(ps_hgh_t), intent(inout)	psp,
		character(len=*), intent(in)	filename,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 184 of file ps_hgh.F90.

hgh_end()

subroutine, public ps_hgh_oct_m::hgh_end

(

type(ps_hgh_t), intent(inout)

psp

)

Definition at line 229 of file ps_hgh.F90.

hgh_process()

subroutine, public ps_hgh_oct_m::hgh_process	(	type(ps_hgh_t), intent(inout)	psp,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 248 of file ps_hgh.F90.

hgh_get_eigen()

subroutine, public ps_hgh_oct_m::hgh_get_eigen	(	type(ps_hgh_t), intent(in)	psp,
		real(real64), dimension(:, :), intent(out)	eigen
	)

Definition at line 290 of file ps_hgh.F90.

load_params()

integer function ps_hgh_oct_m::load_params ( integer, intent(in)  unit, type(ps_hgh_t), intent(out)  params, type(namespace_t), intent(in)  namespace  )

private

Definition at line 306 of file ps_hgh.F90.

get_cutoff_radii()

subroutine ps_hgh_oct_m::get_cutoff_radii ( type(ps_hgh_t), intent(inout)  psp )

private

Definition at line 476 of file ps_hgh.F90.

vlocalr_scalar()

subroutine ps_hgh_oct_m::vlocalr_scalar ( real(real64), dimension(:), intent(in)  r, integer, intent(in)  np, type(ps_hgh_t), intent(in)  p, real(real64), dimension(:), intent(inout)  vloc  )

private

Definition at line 504 of file ps_hgh.F90.

projectorr_scalar()

subroutine ps_hgh_oct_m::projectorr_scalar ( real(real64), dimension(:), intent(in)  r, integer, intent(in)  np, type(ps_hgh_t), intent(in)  p, integer, intent(in)  i, integer, intent(in)  l, real(real64), dimension(:), intent(inout)  proj  )

private

Definition at line 541 of file ps_hgh.F90.

solve_schroedinger()

subroutine ps_hgh_oct_m::solve_schroedinger ( type(ps_hgh_t), intent(inout)  psp, integer, intent(out)  ierr, type(namespace_t), intent(in)  namespace  )

private

Definition at line 579 of file ps_hgh.F90.

hgh_debug()

subroutine, public ps_hgh_oct_m::hgh_debug	(	type(ps_hgh_t), intent(in)	psp,
		character(len=*), intent(in)	dir,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 706 of file ps_hgh.F90.

Variable Documentation

eps

real(real64), parameter ps_hgh_oct_m::eps = 1.0e-8_real64

private

Definition at line 179 of file ps_hgh.F90.