Calculation of elastic properties of crystals¶
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. The code was available to anyone, presented at our Workshop on ab initio Calculations in Geosciences and used by some of my co-workers but was never properly published with full documentation, project page etc. Nevertheless the old code is still available to anyone as Elastic 2. I just do not recommend to use it without my help - which I am happy to provide.
In 2010, I have decided to re-implement elastic as a module for the ASE system and publish it properly under the GPL.
The source code started live on the launchpad project page and later in 2014 moved to the github repository with corresponding elastic web page and on-line documentation placed at Elastic website (you are probably reading from it already). You can obtain the documentation as a PDF file as well.
The project is open and I welcome patches, ideas and other feedback. You can also support the project and motivate me to work on it even more by donating using bitcoin address: 1Geq8khANDueVt1QdCS5GU2oNCtdc1uSMv .
- Physical Principles
- Indices and tables