From 179f4241424ed872760425475e01486fd7fe2d82 Mon Sep 17 00:00:00 2001 From: Johannes Hofmann Date: Thu, 12 Jun 2025 12:03:56 +0000 Subject: [PATCH] Fix missing i*sin(k*x) in FT_K_to_R_C, pointed out by Dhruv --- Libraries/Modules/lattices_v3_mod.F90 | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/Libraries/Modules/lattices_v3_mod.F90 b/Libraries/Modules/lattices_v3_mod.F90 index a6f15771d..083e81f9f 100644 --- a/Libraries/Modules/lattices_v3_mod.F90 +++ b/Libraries/Modules/lattices_v3_mod.F90 @@ -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 @@ -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