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1.31 How do I calculate the piezoelectric tensor as a function of temperature?

This calculation is performed within the quasi-static approximation. To execute it, use what = 'mur_lc_t'. The code requires the piezoelectric tensors for each geometry generated by the what='mur_lc_t' run. You have two options for providing these files: Place the files in the elastic_constants/ directory. If the tensors were generated using FFEM, you may instead copy them directly into the anhar_files directory. Once the calculation is complete, the code will generate files containing the piezoelectric tensor values interpolated for each temperature (and pressure) point in the anhar_files directory and plots them.


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Next: 1.32 How do I Up: 1. Howtos Previous: 1.30 How do I   Contents
2026-08-13