刘鹏飞的个人博客分享 http://blog.sciencenet.cn/u/pfliu89

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Elastic Tensor Analysis

已有 2692 次阅读 2018-1-22 12:33 |个人分类:VASP|系统分类:科研笔记| elastic, Debye temperature, elastic anisotropy

1.ELATE: Elastic tensor analysis

ELATE, the online tool for analysis of elastic tensors, developed by François-Xavier Coudert at CNRS /Chimie ParisTech. If you use the software in published results (paper,conference, etc.), please cite the corresponding paper (J. Phys. Condens. Matter., 2016, 28, 275201) and give the website URL.

https://github.com/fxcoudert/elate

http://progs.coudert.name/elate

2.VASP-Elastic

Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities.

https://github.com/keeeto/VASP-Elastic

3.MechElastic

This python scripts can be used to calculate some important physical properties such as elastic moduli, melting temperature, Debye temperature, elastic wave velocities,elastic anisotropy, etc. for all crystalline systems using the VASP output datafrom an elastic tensor calculation. It can also be used to test the mechanical stability of any bulk system.

https://github.com/sobhitsinghphy/MechElastic



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