From bb83c886fd8b61add4f0caccdf79d6d54a1972ae Mon Sep 17 00:00:00 2001 From: "Gernot J. Kraberger" Date: Mon, 3 Oct 2016 16:56:04 +0200 Subject: [PATCH] fix bug in d8483a0 when n_corr != n_inequiv --- python/sumk_dft.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/python/sumk_dft.py b/python/sumk_dft.py index 047ba35e..4adfd377 100644 --- a/python/sumk_dft.py +++ b/python/sumk_dft.py @@ -760,8 +760,8 @@ class SumkDFT(object): for ish in range(self.n_inequiv_shells)] if hloc is None: hloc = self.eff_atomic_levels() - H_loc = [hloc[self.inequiv_to_corr[ish]] - for ish in range(self.n_inequiv_shells)] + H_loc = [hloc[self.corr_to_inequiv[ish]] + for ish in range(self.n_corr_shells)] if include_shells is None: include_shells = range(self.n_inequiv_shells) @@ -961,7 +961,8 @@ class SumkDFT(object): Returns ------- 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. """