USPEX

Owned by Indy Siva
Oct 13, 2016
1 min read

Introduction

 

Usage

module load  uspex/9.4.4

 

Citation: http://han.ess.sunysb.edu/uspex_manual/sect0008.html

 

Whenever using USPEX, in all publications and reports you must cite the original papers, for example, in the following way:

“Crystal structure prediction was performed using the USPEX code 2; 13; 18, based on an evolutionary algorithm developed by Oganov, Glass, Lyakhov and Zhu and featuring local optimization, real-space representation and flexible physically motivated variation operators”.

Consult the OUTPUT.txt file for some of the most important references.

 

Installation

module load matlab/2015b

tar -zxvf /tmp/USPEX-9.4.4.tar.gz

sh install.sh

Reference

  1. http://han.ess.sunysb.edu/uspex_manual/sect0011.html
  2. http://han.ess.sunysb.edu/uspex_manual/sect0008.html
  3. 3. http://han.ess.sunysb.edu/uspex_examples/