From c162b90cfebed35f029cbb8c168907b71f242ce2 Mon Sep 17 00:00:00 2001
From: BelizSertcan <48097107+BelizSertcan@users.noreply.github.com>
Date: Wed, 7 Jan 2026 17:00:26 +0100
Subject: [PATCH] bugfix dipole accumulation for multiple excitations

---
 src/rixs_methods.F | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/src/rixs_methods.F b/src/rixs_methods.F
index a0bb1a9164..9eb3bf83c4 100644
--- a/src/rixs_methods.F
+++ b/src/rixs_methods.F
@@ -267,8 +267,6 @@ CONTAINS
 
          ALLOCATE (core_evects(nspins), state_gs_coeffs(nspins))
          ALLOCATE (dip_block(1, nspins), mu_i0(4, nvirt), mu_if(4, nvirt, nstates), w_i0(nvirt), w_if(nstates))
-         mu_i0 = 0.0_dp
-         mu_if = 0.0_dp
          w_if(:) = valence_state%evals(:)*evolt
          ALLOCATE (i_dip_0(nspins))
          ALLOCATE (dip_f(nspins), i_dip_f(nspins))
@@ -289,6 +287,9 @@ CONTAINS
                   current_state%at_index, " of kind ", TRIM(current_state%at_symbol)
             END IF
 
+            mu_i0 = 0.0_dp
+            mu_if = 0.0_dp
+
             IF (do_sg) THEN ! singlet
                target_ex_coeffs => current_state%sg_coeffs
                w_i0(:) = current_state%sg_evals(:)*evolt