Workshop on ab initio phonon calculations
Cracow, 2-4 December, 2004
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)