intro
This is an old revision of the document!
'FireballTG' is a branch version of a packagefireball-dft and a new Fireball project under progress.
'FireballTG' provides several main differences with respect to Fireball2005.
New Features
- New input file format FireballTG File Formats
- New internal loop structure
- Transport calculation based on Green's function method
- Calculate RSED (Real-Space Electron Density)
- KS (Kohn-Sham) scheme (only Total Energy calculation available now)
- TDSE (Time Dependent Schrodinger Equation) scheme (Ehrenfest dynamics)
- New charge projection (NBA - Natural Bond Analysis)
intro.1257071308.txt.gz · Last modified: 2011/02/18 13:14 (external edit)
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