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intro [2009/11/01 11:32]
admin
intro [2011/02/18 13:13]
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-'''​FireballTG'''​ is a branch version of a simulation package [[http://​www.fireball-dft.org|Fireball]]. 
-'''​FireballTG'''​ provides several differences with respect to the original Fireball code. 
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-== New Features == 
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-- New input file format [[FireballTG File Formats]] 
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-- New internal loop structure decoupling individual tasks 
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-- Electron transport calculation based on Green'​s function method 
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-- Calculate RSED (Real-Space Electron Density) 
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-- KS (Kohn-Sham) scheme (forces not yet implemented) 
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-- TDSE (Time Dependent Schrodinger Equation) scheme (Ehrenfest ​ & Surface hopping dynamics) 
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-- New charge projection (NBA - Natural Bond Analysis) 
  
intro.txt ยท Last modified: 2011/02/18 13:13 (external edit)