mod_rclm Module

Transform matrix to spherical harmonics representation.

  • (KEY=1) From real to complex spherical harmonics basis
  • (KEY=1) From complex to real spherical harmonics basis

Transformation matrix is : (of dimension ), where is the unit matrix, is the antidiagonal unit matrix Transformation rule: Complex --> Real (VC --> VR) with LDIM corresponds to the dimension of the array VMAT as VMAT(2*LDIM+1,2*LDIM+1). LL is the angular momentum l, corresponding to the part of VMAT used -- VMAT(2*LL+1,2*LL+1) Result returns in again in VMAT (original VMAT is destroyed) @note Warning Original VMAT is destroyed.


Uses

    • mod_datatypes

Subroutines

public subroutine rclm(key, ll, ldim, vmat)

Author
Ph. Mavropoulos
License
Creative Commons License
Category
special-functions, lda+u, numerical-tools, KKRhost

T r a n s f o r m

m a t r i x

t o

s p h e r i c a l

h a r m o n i c s

r e p r e s e n t a t i o n .

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Arguments

Type IntentOptional Attributes Name
integer :: key
integer :: ll
integer :: ldim
complex(kind=dp), dimension(2*ldim+1, 2*ldim+1) :: vmat