Comments (4)
richardotis
commented on June 24, 2024
Try adding vacancies (VA) to comps. Most of the solid solution phases in that database include an empty interstitial sublattice, and pycalphad will not load them unless vacancies are explicitly included.
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amy6chunxiao
commented on June 24, 2024
Hi, when I add (VA) to comps, it raises an error:
ValueError: Number of interstitial sublattices for the disordered phase (1) and the ordered phase (5) do not match. Got substitutional sublattice indices of [].
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richardotis
commented on June 24, 2024
Try excluding the GP_MAT phase.
phases = sorted(set(dbf.phases.keys()) - {'GP_MAT'})from pycalphad.
amy6chunxiao
commented on June 24, 2024
已收到邮件
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