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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