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Update chemical potential for temperature dependent convex hulls

Open JPDarby opened this issue 1 year ago • 0 comments

This PR contains two features:

  1. When computing temperature dependent convex hulls it updates the chemical potentials with temperature.
  2. Computing vibrational free energies can be slow. Added the option to interpolate the values from a castep thermodynamics run (if present).

JPDarby avatar Nov 07 '23 18:11 JPDarby