For more information on structural properties in CASTEP see the following presentations:

- Introduction to CASTEP MD Dr Matt Probert (York)
- Geometry Optimization Dr Matt Probert (York)
- Structural Calculations, Phase Stability, Surfaces and Interfaces Dr Keith Refson (RAL/STFC)

- Improved algorithm for geometry optimisation using damped molecular dynamics M.I.J. Probert, Journal of Computational Physics, 191, p 130 (2003)

Retrieved from http://www.castep.org/Prop/Structural

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