subroutine read_LR(nBas,G) ! Read the long-range two-electron integrals from files implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas ! Local variables integer :: mu,nu,la,si double precision :: ERI double precision :: lambda ! Output variables double precision,intent(out) :: G(nBas,nBas,nBas,nBas) ! Open file with integrals lambda = 1d0 print*, 'Scaling integrals by ',lambda open(unit=11,file='int/ERI_lr.dat') ! Read two-electron integrals G(:,:,:,:) = 0d0 do read(11,*,end=11) mu,nu,la,si,ERI ERI = lambda*ERI ! <12|34> G(mu,nu,la,si) = ERI ! <32|14> G(la,nu,mu,si) = ERI ! <14|32> G(mu,si,la,nu) = ERI ! <34|12> G(la,si,mu,nu) = ERI ! <41|23> G(si,mu,nu,la) = ERI ! <23|41> G(nu,la,si,mu) = ERI ! <21|43> G(nu,mu,si,la) = ERI ! <43|21> G(si,la,nu,mu) = ERI enddo 11 close(unit=11) end subroutine read_LR