Tutorials
CASTEP Workshop 2018
Lecture Timetable with links to presentations.
Castepconv (manual)
Workshop Tutorials
Please work through the introduction tutorials 0 and 1. The remaining tutorials can be attempted in any order.
- Tutorial 0 : Linux and Arcus
- Tutorial 1 : Basics and Bonding
- Tutorial 2 : Band Structure and Density of States
- Tutorial 3 : Geometry Optimisation
- Tutorial 4 : Phonons
- Tutorial 5 : GIPAW - solid-state NMR
- Tutorial 6 : TEM image simulations
- Tutorial 7 : "Ab Initio" Random Structure Searching
- Tutorial 8 : cif2cell - generating cell files
- Tutorial 9 : Magnetism
- Tutorial 10 : OPTADOS - for Coreloss and lowloss EELS, accurate DOS and bandgap analysis, J-DOS, Projected DOS
- Tutorial 11 : Time-Dependent DFT
- Tutorial 12 : Exchange-Correlation Functionals