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Resolve "missing imaginary part of phase in Fourier transforms" #557

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Resolve "missing imaginary part of phase in Fourier transforms" #557

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5 changes: 3 additions & 2 deletions Libraries/Modules/lattices_v3_mod.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -752,7 +752,7 @@ subroutine FT_K_to_R_C( Xin_K, Xout_R, Latt)
Type (Lattice), intent(in) :: Latt
Complex (Kind=Kind(0.d0)), Dimension(:,:) :: Xin_K, Xout_R
Complex (Kind=Kind(0.d0)) :: Z
Real (Kind=Kind(0.d0)) :: XK_p(2), IR_p(2)
Real (Kind=Kind(0.d0)) :: XK_p(2), IR_p(2), ang

Integer :: nb, LQ, nt, nr, nk

Expand All @@ -770,7 +770,8 @@ subroutine FT_K_to_R_C( Xin_K, Xout_R, Latt)
Z = cmplx(0.d0, 0.d0, kind(0.D0))
do nk = 1,LQ
XK_p = dble(Latt%listk(nk,1))*Latt%b1_p + dble(Latt%listk(nk,2))*Latt%b2_p
Z = Z + cos(Iscalar(XK_p,IR_p))*Xin_K(nk,nt)
ang = Iscalar(XK_p, IR_p)
Z = Z + cmplx(cos(ang), sin(ang), kind(0.D0)) * Xin_K(nk,nt)
enddo
Xout_R(nr,nt) = Z/dble(LQ)
enddo
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