intro
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A project FireballTG is a branch version of a simulation package Fireball.FireballTG provides several differences with respect to the original Fireball code.
New Features
- New input file format FireballTG File Formats
- New internal loop structure decoupling individual tasks
- Electron transport calculation based on Green's function method
- Calculate RSED (Real-Space Electron Density)
- KS (Kohn-Sham) scheme (forces not yet implemented)
- TDSE (Time Dependent Schrodinger Equation) scheme (Ehrenfest & Surface hopping dynamics)
- New charge projection (NBA - Natural Bond Analysis)
intro.1257176344.txt.gz · Last modified: 2011/02/18 13:14 (external edit)
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