mod_orbitalmoment Module

Wrapper module for the calculation of the orbital moment


Subroutines

public subroutine calc_orbitalmoment(lmax, lmmaxd, loperator)

License
Creative Commons License
Category
physical-observables, KKRhost

Calculation of the orbital moment

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Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: lmax

Maximum l component in wave function expansion

integer, intent(in) :: lmmaxd

(KREL+KORBIT+1)(LMAX+1)*2

complex(kind=dp), intent(out), dimension (lmmaxd, lmmaxd, 3) :: loperator

public subroutine calc_orbit_onel(lval, lorbit_onel)

License
Creative Commons License
Category
physical-observables, KKRhost

Calculation of the contibution of a given orbital to the orbital moment

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Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: lval
complex(kind=dp), intent(out), dimension (2*lval+1, 2*lval+1, 3) :: lorbit_onel