Vibrations

Vibrational modes of molecules

GTVibDisplacementRep — gives the displacement representation of a molecule.

GTVibModeSymmetry — gives the vibrational modes of a molecule.

GTVibSpectroscopy — gives IR or Raman active modes of a molecule

Vibrational modes of solids

GTVibDynamicalMatrix — gives the dynamical matrix for a given structure.

GTVibSetParameters — sets spring constants and masses in a dynamical matrix.

GTVibTbToPhonon — transforms a tight-binding p-Hamiltonian in a dynamical matrix.

GTVibTbToPhononRule — gives rules to transform a tight-binding p-Hamiltonian into a dynamical matrix.

GTVibLatticeModes— gives vibrational modes of a lattice.