[Wien] Announcement: IRelakit – A Visualization and Analysis Toolkit for Elastic Properties

[morteza jamal]

Dear WIEN2k users,

I am pleased to announce the availability of IRelakit, a software package developed to complement IRelast and WIEN2k by providing advanced analysis and visualization of elastic-property-related quantities.

Starting from the elastic stiffness tensor and the material density, IRelakit computes a broad range of elastic and acoustic properties of crystalline materials. The package supports the visualization of these properties in both three-dimensional (3D) and two-dimensional (2D) forms. Two-dimensional plots can be generated for arbitrary crystallographic directions specified by Miller indices.

IRelakit produces high-quality graphical outputs and supports several export formats, including X3D, VRML (.wrl), and other formats suitable for interactive visualization and publication.

The package is designed as a post-processing toolkit for elastic-property calculations and provides a convenient way to investigate elastic anisotropy, acoustic wave propagation, phase velocity, group velocity,  and many other quantities derived from the elastic tensor.

The package is currently available in the unsupported section of the WIEN2k distribution.

The package includes:
   
   - A User Guide (PDF)
   - Example calculations as movie
   - Source code
   - Installation instructions for Linux systems

I hope that IRelakit will be useful to the WIEN2k community. Comments, suggestions, bug reports, and feature requests are greatly appreciated and will help improve future versions.

The package can be found in the unsupported section of the WIEN2k website.

Thank you for your interest.

Best regards,

Morteza Jamal
Developer of IRelakit
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