ALAMODE

beta

Program package for anharmonic phonon calculations

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Description

ALAMODE is designed for estimating harmonic and anharmonic properties of lattice vibrations (phonons) in solids. The code is written in C++ and MPI/OpenMP parallelization is implemented.

git repository : https://github.com/ttadano/alamode
Documentation : http://alamode.readthedocs.org/en/latest/

ALAMODE Web Site

Features

  • Extract harmonic and anharmonic (cubic, quartic, ...) force constants
  • Phonon dispersion, phonon DOS
  • Thermodynamic functions (vibrational entropy, free energy, etc.)
  • Grüneisen parameter
  • Phonon linewidth due to 3-phonon interaction
  • Phonon frequency shift
  • Lattice thermal conductivity

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Additional Project Details

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

C++

Registered

2014-08-15
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