==== VASP ====

The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g., electronic structure calculations and quantum-mechanical molecular dynamics.

See [[http://cms.mpi.univie.ac.at/wiki/index.php/The_VASP_Manual|VASP online manual]].

  * [[https://software.intel.com/en-us/articles/building-vasp-with-intel-mkl-and-intel-compilers|Building VASP with intel mkl and intel compilers]]