pw90_boltzwann_type Derived Type

type, public :: pw90_boltzwann_type

================================================== Contains variables for the boltzwann module of postw90 ==================================================


Inherits

type~~pw90_boltzwann_type~~InheritsGraph type~pw90_boltzwann_type pw90_boltzwann_type type~kmesh_spacing_type kmesh_spacing_type type~pw90_boltzwann_type->type~kmesh_spacing_type kmesh type~pw90_smearing_type pw90_smearing_type type~pw90_boltzwann_type->type~pw90_smearing_type dos_smearing, tdf_smearing

Components

Type Visibility Attributes Name Initial
logical, public :: calc_also_dos = .false.
integer, public :: dir_num_2d = 0
real(kind=dp), public :: dos_energy_step = 0.001_dp
real(kind=dp), public :: dos_energy_min = -1.0_dp
real(kind=dp), public :: dos_energy_max = 0.0_dp
type(pw90_smearing_type), public :: dos_smearing
real(kind=dp), public :: mu_min = -999._dp
real(kind=dp), public :: mu_max = -999._dp
real(kind=dp), public :: mu_step = 0._dp
real(kind=dp), public :: temp_min = -999._dp
real(kind=dp), public :: temp_max = -999._dp
real(kind=dp), public :: temp_step = 0._dp
type(kmesh_spacing_type), public :: kmesh
real(kind=dp), public :: tdf_energy_step = 0.001_dp
type(pw90_smearing_type), public :: tdf_smearing
real(kind=dp), public :: relax_time = 10._dp
logical, public :: bandshift = .false.
integer, public :: bandshift_firstband = 0
real(kind=dp), public :: bandshift_energyshift = 0._dp

Source Code

  type pw90_boltzwann_type
    !!==================================================
    !! Contains variables for the boltzwann module of postw90
    !!==================================================
    logical :: calc_also_dos = .false.
    integer :: dir_num_2d = 0
    real(kind=dp) :: dos_energy_step = 0.001_dp
    real(kind=dp) :: dos_energy_min = -1.0_dp
    real(kind=dp) :: dos_energy_max = 0.0_dp
    type(pw90_smearing_type) :: dos_smearing ! default to global smearing values
    real(kind=dp) :: mu_min = -999._dp
    real(kind=dp) :: mu_max = -999._dp
    real(kind=dp) :: mu_step = 0._dp
    real(kind=dp) :: temp_min = -999._dp
    real(kind=dp) :: temp_max = -999._dp
    real(kind=dp) :: temp_step = 0._dp
    type(kmesh_spacing_type) :: kmesh
    real(kind=dp) :: tdf_energy_step = 0.001_dp
    ! adaptive smearing .false.
    type(pw90_smearing_type) :: tdf_smearing ! TDF_smr_index and TDF_smr_fixed_en_width
    real(kind=dp) :: relax_time = 10._dp
    logical :: bandshift = .false.
    integer :: bandshift_firstband = 0
    real(kind=dp) :: bandshift_energyshift = 0._dp
  end type pw90_boltzwann_type