MateriApps Debian Package: ALAMODE

ALAMODE: A program package for constructing interatomic force fields which explicitly consider lattice anharmonicity

In combination with a molecular dynamics simulator LAMMPS and an external first-principles package such as VASP and Quantum ESPRESSO, ALAMODE extracts harmonic/anharmonic force constants of solids and calculates phonon dispersion, phonon DOS, Gruneisen parameter, phonon-phonon scattering probability, lattice thermal-conductivity, anharmonic phonons at finite temperature, phonon free energy and so on.

Version

• 1.1.0-1 (13 May 2019)

Provided packages

• alamode

Target distributions and architectures

• Debian stretch (amd64, i386)
• Debian jessie (amd64, i386)

For users

• How to install ALAMODE

  1. Add MateriApps LIVE! apt repository to Debian [English][Japanese]

  2. Install ALAMODE

     suto apt-get install alamode
     

For Debian package maintainers

• How to prepare original source tarball

  VERSION=x.x.x
  wget https://sourceforge.net/projects/alamode/files/alamode-$VERSION.tar.gz
  tar zxvf alamode-$VERSION.tar.gz
  mv -f alamode-$VERSION alamode_$VERSION
  tar zcvf alamode_$VERSION.orig.tar.gz alamode_$VERSION
  rm -rf alamode-$VERSION.tar.gz* alamode_$VERSION
  

Links

• MateriApps LIVE! Home Page
• MateriApps LIVE! Forum (Users Forum)
• MateriApps LIVE! Wiki (Documents and FAQ)
• MateriApps LIVE! on MateriApps