Application guides

For a general explanation on how to make an application available for use, the module system, and information about changes in application software see Software Module Scheme.

• The Amsterdam Density Functional modeling suite
  • First time you run an ADF job?
  • Amsterdam Density Functional program
  • The periodic DFT code Band
  • First time you run a Band job?
  • Information for advanced users
• Dalton
  • First time you run a Dalton job?
• Gaussian and GaussView
  • Gaussian job example
  • Memory and number of cores
  • GaussView
• Molcas
  • First time you run a Molcas job?
• ORCA
• Schrödinger Product Suites
  • Running Schrodinger jobs on Stallo
  • Installing Schrodinger on your local client machine
• The TURBOMOLE program system
  • TURBOMOL runscript example
• VASP (Vienna Ab initio Simulation Package)
  • First time you run a VASP job?
  • About the VASP install on Stallo
• The COMSOL Multiphysics software suite
  • First time you run an COMSOL job?