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https://github.com/pfloos/quack
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32 lines
887 B
Fortran
32 lines
887 B
Fortran
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subroutine gga_correlation_potential(DFA,nEns,wEns,nGrid,weight,nBas,AO,dAO,rho,drho,Fc)
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! Compute GGA correlation potential
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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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integer,intent(in) :: nBas
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double precision,intent(in) :: AO(nBas,nGrid)
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double precision,intent(in) :: dAO(3,nBas,nGrid)
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double precision,intent(in) :: rho(nGrid,nspin)
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double precision,intent(in) :: drho(3,nGrid,nspin)
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! Local variables
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! Output variables
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double precision,intent(out) :: Fc(nBas,nBas,nspin)
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! Coefficients for GGA correlation functional
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! Compute GGA correlation matrix in the AO basis
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end subroutine gga_correlation_potential
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