gen_coul_ueg_mod Module


Uses


Contents

Variables

Interfaces

Functions

Subroutines


Variables

Type Visibility Attributes Name Initial
procedure(uu_tc_t), public, pointer :: uu_tc => null()
real(kind=dp), public, ALLOCATABLE :: UMAT_TC2(:,:,:)
real(kind=dp), public, ALLOCATABLE :: UMAT_TC2_Contact(:)
real(kind=dp), public, ALLOCATABLE :: UMAT_TC2_Contact3D(:,:,:)
real(kind=dp), public :: ktc_cutoff2
real(kind=dp), public :: omega_p

Interfaces

interface

  • public pure function uu_tc_t(k2) result(u_tc)

    Arguments

    Type IntentOptional Attributes Name
    real(kind=dp), intent(in) :: k2

    Return Value real(kind=dp)


Functions

public pure function get_hub_umat_el(i, j, k, l) result(hel)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: i
integer, intent(in) :: j
integer, intent(in) :: k
integer, intent(in) :: l

Return Value real(kind=dp)

public pure function get_ueg_umat_el(idi, idj, idk, idl) result(hel)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: idi
integer, intent(in) :: idj
integer, intent(in) :: idk
integer, intent(in) :: idl

Return Value real(kind=dp)

public pure function get_contact_umat_el_3b_sp(idi, idj, idk, idl) result(hel)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: idi
integer, intent(in) :: idj
integer, intent(in) :: idk
integer, intent(in) :: idl

Return Value real(kind=dp)

public function get_contact_umat_el_3b_sap(idi, idj, idk, idl, nI) result(hel)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: idi
integer, intent(in) :: idj
integer, intent(in) :: idk
integer, intent(in) :: idl
integer, intent(in) :: nI(nel)

Return Value real(kind=dp)

public pure function get_contact_umat_el(idi, idj, idk, idl) result(hel)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: idi
integer, intent(in) :: idj
integer, intent(in) :: idk
integer, intent(in) :: idl

Return Value real(kind=dp)

public pure function uu_tc_interpl(k2) result(u_tc)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: k2

Return Value real(kind=dp)

public pure function uu_tc_trunc(k2) result(u_tc)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: k2

Return Value real(kind=dp)

public function uu_tc_prod(k1_tc, k2_tc) result(uu_prod)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: k1_tc(3)
real(kind=dp), intent(in) :: k2_tc(3)

Return Value real(kind=dp)

public pure function get_lmat_ueg(l1, l2, l3, r1, r2, r3) result(hel)

Arguments

Type IntentOptional Attributes Name
integer(kind=int64), intent(in) :: l1
integer(kind=int64), intent(in) :: l2
integer(kind=int64), intent(in) :: l3
integer(kind=int64), intent(in) :: r1
integer(kind=int64), intent(in) :: r2
integer(kind=int64), intent(in) :: r3

Return Value real(kind=dp)

public pure function get_lmat_ua(l1, l2, l3, r1, r2, r3) result(hel)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: l1
integer, intent(in) :: l2
integer, intent(in) :: l3
integer, intent(in) :: r1
integer, intent(in) :: r2
integer, intent(in) :: r3

Return Value real(kind=dp)


Subroutines

public subroutine gen_coul_hubnpbc()

Arguments

None

public subroutine GEN_Umat_TC_Contact()

Arguments

None

public subroutine GEN_Umat_TC()

!!!!!! generate UMAT_TC2, the Fourier transformation of (D u)^2

Arguments

None

public subroutine Madelungterm()

Arguments

None

public subroutine prep_ueg_dump()

Arguments

None