I had changed something for QE. Corrected.

TRIQS · Nov 12, 2024 · 27152ac · 27152ac
1 parent 97e81d6
commit 27152ac
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/python/triqs_dft_tools/sumk_dft.py b/python/triqs_dft_tools/sumk_dft.py
@@ -2387,8 +2387,8 @@ def calc_density_correction(self, filename=None, dm_type=None, spinave=False, kp
                 ib2 = band_window[0][ik, 1]
                 for inu in range(self.n_orbitals[ik, 0]):
                     for imu in range(self.n_orbitals[ik, 0]):
-                        valre = (deltaN['up'][ik][inu, imu].real + deltaN['down'][ik][inu, imu].real)
-                        valim = (deltaN['up'][ik][inu, imu].imag + deltaN['down'][ik][inu, imu].imag)
+                        valre = (deltaN['up'][ik][inu, imu].real + deltaN['down'][ik][inu, imu].real) / 2.0
+                        valim = (deltaN['up'][ik][inu, imu].imag + deltaN['down'][ik][inu, imu].imag) / 2.0
                         # write into delta_N
                         delta_N[ik, inu, imu] = valre + 1j*valim
             if mpi.is_master_node():