diff --git a/python/sumk_dft.py b/python/sumk_dft.py index f60ab9e1..d01a8132 100644 --- a/python/sumk_dft.py +++ b/python/sumk_dft.py @@ -1251,6 +1251,10 @@ class SumkDFT(object): d[block2] = T, False self.deg_shells[ish].append(d) + # a block was found, break out of the loop + break + + def density_matrix(self, method='using_gf', beta=40.0): """Calculate density matrices in one of two ways.