Skip to main content

Extension for ASE to calculate elastic constants

Project description

Build Status PVersion Badge CVersion Badge Downloads Badge License Badge Research software impact DOI

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 few 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 the Workshop on ab initio Calculations in Geosciences and used by some of my co-workers. This code is a re-implementation of elastic as a module for the ASE.

The on-line documentation is placed on ReadTheDocs or Elastic website. You can obtain the documentation as a PDF file as well.

The docs are also published at: Elastic over IPFS

The stable site hash is: /ipns/QmSHUr59SLvWEZq7URTDGgouVaq7vFJYG7HqtBgL4s6M2u/


The installation is simple if you are using conda package menager:

conda install -c jochym elastic

If you need a more elaborate installation instruction for computing environment to work with ASE - I have written just such a document. It is a first in the series of tutorials of this subject and you can find it under nbviewer link above.

The project is open and I welcome patches, ideas and other feedback.


In the past the project was partially supported by:

  • Department of Computational Material Science, Institute of Nuclear Physics, PAN, Poland
  • Department of Engineering, University of Saskatchewan, Canada

Project details

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

elastic- (227.2 kB view hashes)

Uploaded source

Built Distributions

elastic- (34.5 kB view hashes)

Uploaded 3 5

elastic- (33.8 kB view hashes)

Uploaded 2 7

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring Facebook / Instagram Facebook / Instagram PSF Sponsor Fastly Fastly CDN Google Google Object Storage and Download Analytics Huawei Huawei PSF Sponsor Microsoft Microsoft PSF Sponsor NVIDIA NVIDIA PSF Sponsor Pingdom Pingdom Monitoring Salesforce Salesforce PSF Sponsor Sentry Sentry Error logging StatusPage StatusPage Status page