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50 lines
1.1 KiB
Fortran
50 lines
1.1 KiB
Fortran
subroutine select_rung(rung,DFA)
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! Select rung of Jacob's ladder
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: rung
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character(len=12),intent(in) :: DFA
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select case (rung)
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! Hartree calculation
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case(0)
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write(*,*) "* 0th rung of Jacob's ladder: Hartree calculation *"
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! LDA functionals
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case(1)
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write(*,*) "* 1st rung of Jacob's ladder: local-density approximation (LDA) *"
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! GGA functionals
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case(2)
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write(*,*) "* 2nd rung of Jacob's ladder: generalized gradient approximation (GGA) *"
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! meta-GGA functionals
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case(3)
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write(*,*) "* 3rd rung of Jacob's ladder: meta-GGA functional (MGGA) *"
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! Hybrid functionals
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case(4)
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write(*,*) "* 4th rung of Jacob's ladder: hybrid functional *"
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! Default
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case default
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write(*,*) "!!! rung not available !!!"
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stop
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end select
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! Print selected functional
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write(*,*) '* You have selected the following functional: ',DFA,' *'
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write(*,*) '*******************************************************************'
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write(*,*)
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end subroutine select_rung
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