intro
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intro [2009/11/01 11:29] admin |
intro [2011/02/18 13:13] |
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| - | '''FireballTG''' is a branch version of a package [[http://www.fireball-dft.org|''Fireball'']]. | ||
| - | '''FireballTG''' provides several main differences with respect to the traditional Fireball project. | ||
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| - | == New Features == | ||
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| - | ---- | ||
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| - | - New input file format [[FireballTG File Formats]] | ||
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| - | - New internal loop structure | ||
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| - | - 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 (only Total Energy calculation available now) | ||
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| - | - TDSE (Time Dependent Schrodinger Equation) scheme (Ehrenfest dynamics) | ||
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| - | - New charge projection (NBA - Natural Bond Analysis) | ||
intro.txt ยท Last modified: 2011/02/18 13:13 (external edit)
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