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Get strain tensor

The strain tensor can be accessed via subroutine get_strain_tensor_cxyz (MODULE mod_get_strain_tensor_cxyz) which returns the strain tensor in the crystal coordinate system. This subroutine provides the strain tensor for a point on the material grid as specified in the input file. The standard method is pseudomorphic growth (homogeneous-strain in 1D). The calculation is done within elasticity theory (strain-minimization in 2D/3D). For 1D and also 2D and 3D analytical formulas for layer structures are provided (-> homogeneous-strain).

There is also the subroutine get_strain_tensor_vogt_cxyz (MODULE get_strain_voigt_not_cxyz) that provides the strain tensor in Voigt notation (needed for k.p / electronic structure).

 

   
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