diff --git a/python/sumk_dft_tools.py b/python/sumk_dft_tools.py index 4667d7c4..f572567a 100644 --- a/python/sumk_dft_tools.py +++ b/python/sumk_dft_tools.py @@ -91,8 +91,8 @@ class SumkDFTTools(SumkDFT): # Collect data from mpi: for bname in DOS: DOS[bname] = mpi.all_reduce(mpi.world, DOS[bname], lambda x,y : x+y) - for ish in range(self.n_shells): - G_loc[ish] << mpi.all_reduce(mpi.world, G_loc[ish], lambda x,y : x+y) + for icrsh in range(self.n_corr_shells): + G_loc[icrsh] << mpi.all_reduce(mpi.world, G_loc[icrsh], lambda x,y : x+y) mpi.barrier() # Symmetrize and rotate to local coord. system if needed: