StoBe-deMon
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.
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
- Triguero, Pettersson and Ågren, PRB-1998
- Leetmaa et al., J. Electron. Spectrosc. Relat. Phenom.-2010, review