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Hi! I am encountering a problem when running the BaTiO3 notebook. After the imports, running
router = SynthesisRoutes( mp_id, confine_to_icsd=True, confine_to_stables=True, explicit_includes=[TiO2_rutile,BaCO3_beta,TiO_ordered, BaTi2O5], exclude_compositions=['BaTiO3'], allow_gas_release=True, confine_competing_to_icsd=False, add_elements=['C'] )
returns an IndexError with traceback:
IndexError Traceback (most recent call last) 10 TiO2_rutile = 'mp-2657' # Additional relevant phase to explicitly include 11 BaCO3_beta = 'mp-4559' # Additional relevant phase to explicitly include ----> 13 router = SynthesisRoutes( 14 mp_id, 15 confine_to_icsd=True, 16 confine_to_stables=True, 17 explicit_includes=[TiO2_rutile,BaCO3_beta,TiO_ordered, BaTi2O5], 18 exclude_compositions=['BaTiO3'], 19 allow_gas_release=True, 20 confine_competing_to_icsd=False, 21 add_elements=['C'] 22 ) File .\site-packages\piro\route.py:129, in SynthesisRoutes.__init__(self, target_entry_id, confine_to_icsd, confine_to_stables, hull_distance, simple_precursors, explicit_includes, exclude_compositions, allow_gas_release, add_elements, flexible_competition, entries, epitaxies, similarities, sigma, transport_constant, custom_target_entry, confine_competing_to_icsd) 126 else: 127 self.elts = list(self.target_entry.composition.as_dict().keys()) --> 129 self.get_precursor_library() 130 print("Precursor library ready.") 131 self.epitaxies = ( 132 epitaxies 133 if epitaxies 134 else get_epitaxies(self.precursor_library, self.target_entry) ... 194 return self.custom_target_entry 195 else: --> 196 return [e for e in self.entries if e.entry_id == self.target_entry_id][0] IndexError: list index out of range
Any idea on how to fix this?
The text was updated successfully, but these errors were encountered:
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Hi!
I am encountering a problem when running the BaTiO3 notebook.
After the imports, running
returns an IndexError with traceback:
Any idea on how to fix this?
The text was updated successfully, but these errors were encountered: