Treatment of a semi-metal to metal structural phase transition: convergence properties of the A7 to sc transition of arsenic

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The material presented here is supplementary to the article entitled: "Density-functional investigation of the rhombohedral to simple cubic phase transition of arsenic"; it deals with the convergence issues involved in studying a semi-metal to metal structural phase transition such as the A7 to sc transition of arsenic.
This material is supplementary to arXiv:0810.1692

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Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/171303

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0810.1693
 http://arxiv.org/abs/0810.1693

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arXiv