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fix bug in d8483a0 when n_corr != n_inequiv

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This commit is contained in:
Gernot J. Kraberger 2016-10-03 16:56:04 +02:00
parent a64f778179
commit bb83c886fd
1 changed files with 4 additions and 3 deletions
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7
python/sumk_dft.py
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@ -760,8 +760,8 @@ class SumkDFT(object):
for ish in range(self.n_inequiv_shells)] for ish in range(self.n_inequiv_shells)]
if hloc is None: if hloc is None:
hloc = self.eff_atomic_levels() hloc = self.eff_atomic_levels()
H_loc = [hloc[self.inequiv_to_corr[ish]] H_loc = [hloc[self.corr_to_inequiv[ish]]
for ish in range(self.n_inequiv_shells)] for ish in range(self.n_corr_shells)]
if include_shells is None: if include_shells is None:
include_shells = range(self.n_inequiv_shells) include_shells = range(self.n_inequiv_shells)
@ -961,7 +961,8 @@ class SumkDFT(object):
Returns Returns
------- -------
eff_atlevels : gf_struct_sumk like eff_atlevels : gf_struct_sumk like
Effective local Hamiltonian :math:`H^{loc}_{m m'}` for each correlated shell. Effective local Hamiltonian :math:`H^{loc}_{m m'}` for each
inequivalent correlated shell.
""" """