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Here you can find several tutorials explaining some post-processing utilities. These utilities are available in newest version of Fireball. Keep in mind, that the input files of this version are different from those of older versions (for details see here).

* Molecule

* Calculate real-space electronic density

* Conductance calculation using Green's function method

* Calculate Densty Of States (DOS)

* Dump TB-Hamiltonian for STM simulation

* NEB simulation

tutorial.txt · Last modified: 2011/02/18 13:13 (external edit)