oops

mailhexu · May 1, 2024 · 2936496 · 2936496
1 parent bfcf4e0
commit 2936496
Showing 1 changed file with 2 additions and 2 deletions.
diff --git 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,