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lucamghi created page: analytics/RSvsZB_LASSO_L0 authored by Luca Massimiliano Ghiringhelli's avatar Luca Massimiliano Ghiringhelli
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## Tutorial example on crystal-structure prediction I: The case of octet-binary zincblend-vs.-rocksalt semiconductors
# Tutorial example on crystal-structure prediction I: The case of octet-binary zincblend-vs.-rocksalt semiconductors
# Introduction
## Introduction
In this tutorial we present a tool for predicting the crystal structure of octet binary compounds, by using a set of descriptive parameters (a descriptor) based on free-atom data of the atomic species constituting the binary material.
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[7] Y. Saad, D. Gao, T. Ngo, S. Bobbitt, J. R. Chelikowsky, and W. Andreoni, Phys. Rev. B 85, 104104 (2012).
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