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WIEN2k website  
WIEN2k allows to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, one among the most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme including relativistic effects and has many features.

WIEN2k License

Please note that WIEN2k is a restricted software. Users who intend to use it must obtain the appropriate license and demonstrate to the Research Computing staff that you are a licensed user before using the software. Please refer to for WIEN2k license information.

Environment Modules

Run module spider WIEN2k to find out what environment modules are available for this application.

System Variables

  • WIENROOT - installation root directory
  • STRUCTEDIT_PATH - structure editing program directory
  • OCTAVE_EXEC_PATH - structure editing tool directory
  • EDITOR - preferred editor (vi)
  • PDFREADER - program to read PDF files