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Theory: method of displacements
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Detailed description of options
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Ew - Coulomb potential
Contents
Calculation of phonons (atomic vibrations)
Subsections
Theory: method of displacements and forces
Theory: practical side
Theory: use of symmetry
Theory: Elimination of translations and rotations in the case of molecules
Vm - Vibrations of molecules => preparation
A short note on advanced options
Vc - Vibrations of crystals (point group) => preparation
Vs - Vibrations of crystals (space group) => preparation
V2 - Vibrations => calculation [normal modes]
V3 - Vibrations => application [DOS, masses]
Lev Kantorovich 2006-05-08
