Editing CASTEP
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
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 | [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== | ==CASTEP Workshop== | ||
[http://www.castep.org CASTEP Workshop] 17th - 21st September 2007, University of York, UK. | [http://www.castep.org CASTEP Workshop] 17th - 21st September 2007, University of York, UK. | ||
[[Category: Materials | [[Category: Materials modeling and Computer simulation codes]] | ||
[[Category: Density-functional theory]] | [[Category: Density-functional theory]] |