StoBe-deMon

Last modified by thpylkka@helsinki_fi on 2024/02/07 06:22

About StoBe

The software package StoBe (Stockholm-Berlin) is a numerical program package to evaluate and analyze the electronic structure as well as spectroscopic and other properties of molecules and atom clusters. The approach is based on self-consistent solutions of the Kohn-Sham Density Functional Theory equations using a Linear Combinations of Gaussian Type Orbitals (LCAO) approach. 

  • (DFT): XANES (TP-approx.), XRS (TP), XPS (TP), Compton

Website: http://www.fhi-berlin.mpg.de/KHsoftware/StoBe/index.html

Latest version: v3.3

Documentation

All documentation can be found in the Documentation section of the StoBe website. Help files, installation notes, user guides, and additional information is available there. Additional notes will be found here.

StoBe notes

Compiling and Installing StoBe

Platforms

  • CSC: No
  • Korundi: ?
  • Alcyone: ?
  • Local workstations: OK
    • Ubuntu (no instructions prepared)

Source Code Access

Full source code is available on the StoBe website with a purchased license only.

Papers

Transition potential approximation (TPA) references