CASTEP: Difference between revisions
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[http://www.tcm.phy.cam.ac.uk/castep/ CASTEP] is a software package which uses density functional theory to provide a good atomic-level description of all manner of materials and molecules. CASTEP can give information about total energies, forces and stresses on an atomic system, as well as calculating optimum geometries, band structures, optical spectra, phonon spectra and much more. It can also perform molecular dynamics simulations. | [http://www.tcm.phy.cam.ac.uk/castep/ CASTEP] is a software package which uses density functional theory to provide a good atomic-level description of all manner of materials and molecules. CASTEP can give information about total energies, forces and stresses on an atomic system, as well as calculating optimum geometries, band structures, optical spectra, phonon spectra and much more. It can also perform molecular dynamics simulations. | ||
==CASTEP Workshop== | |||
[http://www.castep.org CASTEP Workshop] 17th - 21st September 2007, University of York, UK. | |||
[[Category: Materials modeling and Computer simulation codes]] | [[Category: Materials modeling and Computer simulation codes]] | ||
[[Category: Density-functional theory]] | [[Category: Density-functional theory]] | ||
Revision as of 09:31, 10 May 2007
CASTEP is a software package which uses density functional theory to provide a good atomic-level description of all manner of materials and molecules. CASTEP can give information about total energies, forces and stresses on an atomic system, as well as calculating optimum geometries, band structures, optical spectra, phonon spectra and much more. It can also perform molecular dynamics simulations.
CASTEP Workshop
CASTEP Workshop 17th - 21st September 2007, University of York, UK.