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1.29 How do I calculate the pyroelectric tensor?

To compute the pyroelectric tensor, use the what = 'mur_lc_t' option. This calculation is triggered when the code identifies three files in the anhar_files directory: the temperature-dependent piezoelectric tensor, and the internal coordinates as a function of temperature computed by both Full Free Energy Minimization (FFEM) and ZSISA. Note that identifying the specific internal coordinates for your solid requires custom coding; please refer to the user's manual for further instructions on this implementation.


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2026-08-13