2020-03-15 22:37:40 +01:00
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subroutine restricted_lda_correlation_derivative_discontinuity(DFA,nEns,wEns,nGrid,weight,rhow,Ec)
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! Compute the correlation LDA 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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character(len=12),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)
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! Local variables
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! Output variables
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double precision,intent(out) :: Ec(nEns)
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! Select correlation functional
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select case (DFA)
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case ('W38')
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Ec(:) = 0d0
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2020-03-17 11:29:20 +01:00
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case ('RVWN5')
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2020-03-15 22:37:40 +01:00
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Ec(:) = 0d0
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2020-03-16 22:08:04 +01:00
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case ('RMFL20')
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2020-03-15 22:37:40 +01:00
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call RMFL20_lda_correlation_derivative_discontinuity(nEns,wEns,nGrid,weight(:),rhow(:),Ec(:))
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case default
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call print_warning('!!! LDA correlation functional not available !!!')
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stop
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end select
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end subroutine restricted_lda_correlation_derivative_discontinuity
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