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The example "get_formations.py" run into error of "no compute_formation()" #144

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aijcode opened this issue Aug 12, 2022 · 0 comments
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aijcode commented Aug 12, 2022

When the code get_formations.py in the examples was run, it failed with the error "no compute_formation()". I want to calculate the formation energy and get the key of "description". I find the functions of calculate_stability(), compute_formation_energies() , get_formation() and formation_energy(), but none of them calculates formation energy but just reads the database or do something others. So, how to calculate the formation energy with qmpy?

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