Workshop on ab initio phonon calculations

Talks Presented during the Workshop

  • 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)
We use cookies

We use cookies on our website. Some of them are essential for the operation of the site, while others help us to improve this site and the user experience (tracking cookies). You can decide for yourself whether you want to allow cookies or not. Please note that if you reject them, you may not be able to use all the functionalities of the site.