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Small bugfix in sumkdft

This commit is contained in:
hschnait 2022-03-08 18:22:57 +01:00
parent 33200f9b8a
commit 660807fe25

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@ -1119,7 +1119,7 @@ class SumkDFT(object):
# transform G to the new structure # transform G to the new structure
full_structure = BlockStructure.full_structure( full_structure = BlockStructure.full_structure(
[{sp:list(range(self.corr_shells[self.inequiv_to_corr[ish]]['dim'])) [{sp:self.corr_shells[self.inequiv_to_corr[ish]]['dim']
for sp in self.spin_block_names[self.corr_shells[self.inequiv_to_corr[ish]]['SO']]} for sp in self.spin_block_names[self.corr_shells[self.inequiv_to_corr[ish]]['SO']]}
for ish in range(self.n_inequiv_shells)],self.corr_to_inequiv) for ish in range(self.n_inequiv_shells)],self.corr_to_inequiv)
G_transformed = [ G_transformed = [