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Introduction
PHON
A program to calculate phonons using the small displacement method
Dario Alfè
November 1998
Introduction
Theoretical overview
Phonon frequencies
Calculation of the force constant matrix
Pratical calculations
Supercell generation
Calculating forces
Phonon dispersions
Density of states and thermodynamic quantities
Partial density of states
Translational invariance
Bibliography
About this document ...
Dario Alfe`
2004-07-15
