From 813cfff7f7cf8246fe02c1efdd158395a12015a7 Mon Sep 17 00:00:00 2001 From: Olivier Gingras Date: Tue, 12 Nov 2024 12:08:49 -0500 Subject: [PATCH] I had changed something for QE. Corrected. --- python/triqs_dft_tools/sumk_dft.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/python/triqs_dft_tools/sumk_dft.py b/python/triqs_dft_tools/sumk_dft.py index b2c913c6..81a7db36 100644 --- 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():