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3.29 what='polarization_geo'

With this option the code computes the Berry phase polarization in a grid of geometries, the geometries specified as in what='mur_lc'. The results are written in different files in the directory elastic_constants. With a subsequent calculation that use what='mur_lc' or what='mur_lc_t' the code can read the file produced with this option and interpolate the polarization at the pressure (and temperature if what='mur_lc_t') dependent geometries using polynomials. The calculation of polarization is controled by the same variables used for the option what='scf_polarization'. The variables that control this option are:

fl_polar : the name of the file that contains the polarization.
         Default : 'output_polar.dat'


next up previous contents
Next: 3.30 what='piezoelectric_tensor_geo' Up: 3. Input variables Previous: 3.28 what='elastic_constants_geo'   Contents
2026-08-13