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Corrects bug in dos_wannier_basis

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This commit is contained in:
Manuel Zingl 2015-04-14 14:45:32 +02:00
parent 74a19b72df
commit 8d0bc912af
1 changed files with 2 additions and 2 deletions
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python/sumk_dft_tools.py
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@ -91,8 +91,8 @@ class SumkDFTTools(SumkDFT):
# Collect data from mpi: # Collect data from mpi:
for bname in DOS: for bname in DOS:
DOS[bname] = mpi.all_reduce(mpi.world, DOS[bname], lambda x,y : x+y) DOS[bname] = mpi.all_reduce(mpi.world, DOS[bname], lambda x,y : x+y)
for ish in range(self.n_shells): for icrsh in range(self.n_corr_shells):
G_loc[ish] << mpi.all_reduce(mpi.world, G_loc[ish], lambda x,y : x+y) G_loc[icrsh] << mpi.all_reduce(mpi.world, G_loc[icrsh], lambda x,y : x+y)
mpi.barrier() mpi.barrier()
# Symmetrize and rotate to local coord. system if needed: # Symmetrize and rotate to local coord. system if needed: