Licence agreement

EvAX software is distributed free of charge for academic, educational, and non-commercial users. Results produced by EvAX code may be used in publications, if only the use of EvAX code is explicitly acknowledged. A suitable reference for EvAX code is as follows:
EXAFS study of hydrogen intercalation into ReO3 using the evolutionary algorithm
J. Timoshenko, A. Kuzmin, J. Purans, J. Phys.: Condens. Matter 26 (2014) 055401 (15pp).
EvAX code or any parts of accompanying software and documentation should not be redistributed without our permission.

Warranty

This software is provided "as is" without any implied warranty. In particular, we do not warrant that EvAX code will meet your requirements or that its operation will be uninterrupted or error free.

System requirements

EvAX code supports multiprocessor systems and can be used with 64-bit Windows OS (7 and newer) or Linux operation systems. Please select the appropriate version in the downloads section.

Important: FEFF code!

EvAX program employs as an inner routine the FEFF8-lite code by Ankudinov, Ravel, Rehr and Conradson (Phys. Rev. B 58, 7565 (1998)). FEFF is a copyrighted software, therefore we are not distributing it together with EvAX. You need to download your own copy: FEFF8-lite can be downloaded free of charge from the project's webpage.

The default number of atoms allowed in FEFF8-lite (1000) may be insufficient for RMC simulations of realistic systems. To change this, follow these instructions:

1. Download the Fortran source code feff85L.f from this link

2. To increase the allowed number of atoms for FEFF calculations, edit the feff85L.f file: find ALL 130 definitions of parameters natx and nattx, and set the values of these parameters to, for example, 10000.

3. Use, for instance, Intel ifort compiler to create a new FEFF executable.

4. Specify the path and name of your FEFF program in the input file for EvAX calculations.

Additional (optional) software

EvAX program does not incorporate any tools for data visualization. The output of the program is a set of ASCII files that can be imported and then plotted by almost any suitable software (GNUplot, Python, Origin, MS Excel, Wolfram Mathematica, Matlab, ...). For your convenience together with EvAX we provide several simple GNUplot scripts (".plt" files) scripts that ensure the very basic visualization of EvAX results (can be downloaded together with examples and manual). Feel free to modify them and adapt to your needs!

The 3D structure model, obtained in EvAX calculations, is saved as *.xyz-type file that can be visualized, for instance, by VESTA program. VESTA can be used also to conveniently define the initial system geometry for EvAX calculations (it should be exported as a *.p1 file that then can be read by EvAX).

Versions

Current version of EvAX code is 5.1, and it was tested on a broad range of different crystalline and nanocrystalline materials. Nevertheless, we are aware that some bugs are probably not eliminated yet, and some things are clumsier than they should be. We are working hard on the improvement of our software. Therefore, please, contact us in case of any problems, comments or suggestions. Your feedback is very important for us and for all potential EvAX users!


Download: manual
Download: Latest Win-64bit version (5.1)
Download: Linux version*

*To get Linux version and/or source-code for EvAX, please, contact the author (see contact information below).