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I find the function Ensemble.get_free_energy_interpolating() can do this. |
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Dear SSCHA developers,
I hope you are doing well.
I have a naive question about the free energy calculation.
After SSCHA matrix is properly relaxed, the free energy is also printed in the process of free energy minimization. I am just wondering if there is a way to interpolate the SSCHA matrix to a dense q grid so that I can calculate a more converged free energy, with the phonon contribution from the dense interpolated q grid.
Best wishes,
Kang
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