Workshop on ab initio phonon calculations

Wykłady wygłoszone podczas Warsztatów:

  • G. Kresse, VASP: Accurate force calculations and VASP-PAW datasets PDF(660KB), ZIP(513KB)
  • P. Blaha, Electronic structure, atomic forces and structural relaxations by WIEN2k, PDF(3.6MB), ZIP(3.3MB)
  • K. Parlinski, Calculation of phonons and thermodynamic properties of crystals by PHONON.PDF(4.8MB), ZIP(3.8MB)
  • M.Johnson, Phonons in molecular crystals - from ab initio calculations to neutron scattering, x-ray and infrared data. PDF(4.8MB), ZIP(3.8MB)
  • M. Krisch, Inelastic x-ray scattering from phonons at ESRF: recent results and perspectives. PDF(13.8MB), ZIP(13.4MB)