Public Attributes
character(256)	elem
	Element name. More...

character(256)	ps_file
	Pseudopotential file name. More...

real(8)	zion
	Ion charge. More...

real(8)	zatom
	Nuclear charge. More...

integer	mmax
	Number of radial grid for PseudoPot. More...

real(8), dimension(:), allocatable	psr
	Radial grid [Bohr]. More...

real(8), dimension(:), allocatable	psv
	V_ps [Htr]. More...

Detailed Description

Definition at line 33 of file atm_spec.F90.

Member Data Documentation

character(256) atm_spec::spec_t::elem

Element name.

Definition at line 34 of file atm_spec.F90.

      character(256) :: &
      & elem, & !< Element name
      & ps_file !< Pseudopotential file name

character(256) atm_spec::spec_t::ps_file

Pseudopotential file name.

Definition at line 34 of file atm_spec.F90.

real(8) atm_spec::spec_t::zion

Ion charge.

Definition at line 37 of file atm_spec.F90.

      real(8) :: &
      & zion, & !< Ion charge
      & zatom !< Nuclear charge

real(8) atm_spec::spec_t::zatom

Nuclear charge.

Definition at line 37 of file atm_spec.F90.

integer atm_spec::spec_t::mmax

Number of radial grid for PseudoPot.

Definition at line 40 of file atm_spec.F90.

40 integer :: &

41 & mmax !< Number of radial grid for PseudoPot.

real(8), dimension(:), allocatable atm_spec::spec_t::psr

Radial grid [Bohr].

Definition at line 42 of file atm_spec.F90.

      real(8),allocatable :: &
      & psr(:), & !< Radial grid [Bohr]
      & psV(:) !< V_ps [Htr]

real(8), dimension(:), allocatable atm_spec::spec_t::psv

V_ps [Htr].

Definition at line 42 of file atm_spec.F90.

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