Vienna ab initio Simulation Package (VASP) is a first principle software to perform electronic structure simulations by giving crystal structure (coordinates and lattice constants) using the quantum theories.
VASP Wiki
- The documentation of VASP can be accessed through VASP wiki. It also has example input files and installation guide.
VASP compilation
You should get the source code from the Computer Officer and compile it on your own computer. The compilation guide is available in compile_vasp. If you have any problem, please contact the Computer Officer.