Elastic constants calculation for α-Pt2Si step by step

Morteza Jamal (09.02.2013)

 α-Pt2Si compound is a test case for elastic constants calculation. It has tetragonal symmetry with space group I4/mmm with number 139. The α-Pt2Si structure (PtSi.struct) is described in detail in the following:

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http://www.wien2k.at/reg_user/unsupported/cubic-elast/example-tetra-Pt2Si-step%20by%20step.pdf