Table of Content


EPCryst is based on EPC algorithm which can generate trial structure models (TSM) based on unit cell contents and space group information. The most promising TSMs will be selected (by a serial of rules) and solved by global optimization algorithms.


  • User friendly interface
  • Automatic trial structure generator
  • Full control of trial structure generate process
  • Editable structure parameters
  • Multiple global optimization algorithms

Following is the screenshot of the Epcryst program:
Epcryst Program Screenshot


Epcryst solve crystal structure in 3 main steps:

  • Generate trail structures
  • Select candidate strucutures
  • Solve crystal structure using global optimization method

The following figure illustrate how each module of Epcryst work together:
Epcryst Modules

Download & Installation

Epcryst is a cross-plate form scientific program which can run on Windows, Linux and Mac OSX Operation systems. However only windows version has been thoroughly tested and provided here. For the other two plate forms, please ask dixiaodeng[at]gmail.com for help.

Plateform Download
Windows Epcryst Windows Installer
Linux None
Mac OSX None

Documents & Tutorial

Epcryst has user friendly user interface and the usage is straight forward. You can view examples shipped within the installer for preparing the input files. Furthermore, here is a detailed tutorial give you the basic concept how Epcryst works.
A basic Epcryst tutorial