CASTEP : Home Page. / Refson, Keith.

2018, Website.

Research output: Other contribution

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CASTEP : Home Page. / Refson, Keith.

2018, Website.

Research output: Other contribution

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@misc{cd6a050b27e645d8a7b386d8bf272387,
title = "CASTEP: Home Page",
abstract = "CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. In particular it has a wide range of spectroscopic features that link directly to experiment, such as infra-red and Raman spectroscopies, NMR, and core level spectra.",
author = "Keith Refson",
year = "2018",
language = "English",
type = "Other",

}

RIS

TY - GEN

T1 - CASTEP

T2 - Home Page

AU - Refson, Keith

PY - 2018

Y1 - 2018

N2 - CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. In particular it has a wide range of spectroscopic features that link directly to experiment, such as infra-red and Raman spectroscopies, NMR, and core level spectra.

AB - CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. In particular it has a wide range of spectroscopic features that link directly to experiment, such as infra-red and Raman spectroscopies, NMR, and core level spectra.

M3 - Other contribution

ER -