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Elastic: computing elasticity tensor of crystalline materials |
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20 June 2017 |
paper.bib |
Elastic is a set of python routines for calculation of elastic properties of crystals (elastic constants, equation of state, sound velocities, etc.). It is a third version of the in-house code I have written over several years and is implemented as a extension to the ASE system. The code was a basis for some of my publications and was described briefly in these papers. It was also presented at Workshop on ab initio Calculations in Geosciences and used by some of my co-workers. The code is published and developed on github repository with corresponding elastic web page and on-line documentation placed at Elastic website and on ReadTheDocs.