diff --git a/TB2J/exchange.py b/TB2J/exchange.py index 3135749..55ed7c4 100644 --- a/TB2J/exchange.py +++ b/TB2J/exchange.py @@ -240,7 +240,7 @@ def _prepare_orb_mmat(self): self.mmats = {} self.orbital_names = {} self.norb_reduced = {} - if self.backend_name == "SIESTA": + if self.backend_name.upper() == "SIESTA": syms = self.atoms.get_chemical_symbols() for iatom, orbs in self.labels.items(): if (self.include_orbs is not None) and syms[iatom] in self.include_orbs: @@ -333,7 +333,7 @@ def set_tbmodels(self, tbmodels): The basis should be orb1_up, orb2_up,...orbn_up, orb1_dn, orb2_dn.... """ self.tbmodel = tbmodels - self.backend_name.upper() = self.tbmodel.name + self.backend_name = self.tbmodel.name # TODO: check if tbmodels are really a tbmodel with SOC. self.G = TBGreen( self.tbmodel,