2020-07-02 15:40:30 +02:00
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subroutine lda_exchange_energy(DFA,LDA_centered,nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,Ex)
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2019-03-13 11:07:31 +01:00
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! Select LDA exchange functional
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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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2020-04-01 22:59:52 +02:00
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logical,intent(in) :: LDA_centered
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2019-03-13 11:07:31 +01:00
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integer,intent(in) :: nEns
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double precision,intent(in) :: wEns(nEns)
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2020-07-02 15:40:30 +02:00
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double precision,intent(in) :: aCC_w1(3)
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double precision,intent(in) :: aCC_w2(3)
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2019-03-13 11:07:31 +01:00
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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) :: rho(nGrid)
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! Output variables
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double precision,intent(out) :: Ex
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! Select correlation functional
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select case (DFA)
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2020-07-02 14:27:38 +02:00
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case ('US51')
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2020-03-15 14:33:53 +01:00
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2020-07-02 14:27:38 +02:00
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call US51_lda_exchange_energy(nGrid,weight,rho,Ex,wEns,nEns)
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2020-03-15 14:33:53 +01:00
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2020-03-16 22:08:04 +01:00
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case ('RS51')
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2019-03-13 11:07:31 +01:00
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2020-03-16 22:08:04 +01:00
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call RS51_lda_exchange_energy(nGrid,weight,rho,Ex)
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2019-03-13 11:07:31 +01:00
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2020-03-15 14:33:53 +01:00
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case ('RMFL20')
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2020-03-15 08:23:01 +01:00
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2020-04-01 22:59:52 +02:00
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call RMFL20_lda_exchange_energy(LDA_centered,nEns,wEns,nGrid,weight,rho,Ex)
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2020-03-15 08:23:01 +01:00
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2020-05-05 16:45:10 +02:00
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case ('RCC')
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2020-04-06 19:40:42 +02:00
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2020-07-02 15:40:30 +02:00
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call RCC_lda_exchange_energy(nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,Ex)
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2020-04-06 19:40:42 +02:00
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2020-07-02 14:27:38 +02:00
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case ('UCC')
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2020-07-02 15:40:30 +02:00
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call UCC_lda_exchange_energy(nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,Ex)
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2020-07-02 14:27:38 +02:00
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2019-03-13 11:07:31 +01:00
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case default
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call print_warning('!!! LDA exchange functional not available !!!')
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stop
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end select
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end subroutine lda_exchange_energy
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