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49 lines
989 B
Fortran
49 lines
989 B
Fortran
subroutine unrestricted_hybrid_correlation_derivative_discontinuity(DFA,nEns,wEns,nGrid,weight,rhow,Ec)
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! Compute the correlation hybrid part of the derivative discontinuity
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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) :: DFA
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integer,intent(in) :: nEns
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double precision,intent(in) :: wEns(nEns)
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integer,intent(in) :: nGrid
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double precision,intent(in) :: weight(nGrid)
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double precision,intent(in) :: rhow(nGrid,nspin)
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! Local variables
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double precision :: aC
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! Output variables
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double precision,intent(out) :: Ec(nsp,nEns)
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! Select correlation functional
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select case (DFA)
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case (1)
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Ec(:,:) = 0d0
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case (2)
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Ec(:,:) = 0d0
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case (3)
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Ec(:,:) = 0d0
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case default
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call print_warning('!!! Hybrid correlation functional not available !!!')
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stop
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end select
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end subroutine unrestricted_hybrid_correlation_derivative_discontinuity
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