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1 Introduction
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User's Guide for the PHonon
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User's Guide for the PHonon
Contents
1 Introduction
2 People
3 Installation
3.1 Structure of the
PHonon
package
3.2 Compilation
4 Using
PHonon
4.1 Single-
q
calculation
4.2 Calculation of interatomic force constants in real space
4.3 Calculation of electron-phonon interaction coefficients
4.4 DFPT with the tetrahedron method
4.5 Calculation of electron-phonon interaction coefficients with the tetrahedron method
4.6 Phonons for two-dimensional crystals
4.7 Phonons from DFPT+
U
4.8 Fourier interpolation of phonon potential
4.9 Calculation of phonon-renormalization of electron bands
5 Parallelism
6 Troubleshooting
A. Appendix: Electron-phonon coefficients
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