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Contents
Contents
PHonon
User's Guide (v. 5.3)
Contents
1 Introduction
2 People
3 Installation
3.1 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
5 Parallelism
6 Troubleshooting
6.0.0.1 ph.x stops with
error reading file
6.0.0.2 ph.x mumbles something like
cannot recover
or
error reading recover file
6.0.0.3 ph.x says
occupation numbers probably wrong
and continues
6.0.0.4 ph.x does not yield acoustic modes with zero frequency at
= 0
6.0.0.5 ph.x yields really lousy phonons, with bad or ``negative'' frequencies or wrong symmetries or gross ASR violations
6.0.0.6
Wrong degeneracy
error in star_q
A. Appendix: Electron-phonon coefficients
About this document ...
Filippo Spiga 2016-04-24