CASTEP: Difference between revisions

From SklogWiki
Jump to navigation Jump to search
No edit summary
No edit summary
Line 1: Line 1:
[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 10:31, 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.