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Inelastica 1.1

License: Free ‎File size: N/A
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Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python.

VERSION HISTORY

  • Version 1.1 posted on 2009-12-29
    Several fixes and updates
  • Version 1.1 posted on 2009-12-29

Program Details

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