next up previous contents
Next: 1.34 Which is the Up: 1. Howtos Previous: 1.32 How do I   Contents

1.33 How do I calculate temperature-dependent elastic constants at constant electric displacement?

To perform this calculation, use the option what='mur_lc_t'. The elastic constants are calculated provided the following data files are available for enough geometries to allow interpolation: The elastic constants at a constant electric field (E); The piezoelectric tensor; The dielectric properties. The code looks for the elastic constants and piezoelectric tensor in the anhar_files directory (if computed via QHA or FFEM) or the elastic_constants directory (if computed only at 0 K). If data exists in both locations, the code prioritizes the files in anhar_files.


next up previous contents
Next: 1.34 Which is the Up: 1. Howtos Previous: 1.32 How do I   Contents
2026-08-13