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d3q download for Linux

Free download d3q Linux app to run online in Ubuntu online, Fedora online or Debian online

This is the Linux app named d3q whose latest release can be downloaded as d3q-1.1.5-qe6.4.tgz. It can be run online in the free hosting provider OnWorks for workstations.

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d3q


DESCRIPTION

version 1.1.5 of this code is downloaded automatically by QE 6.4 and 6.4.1, you may also download more recent snapshot, with QE included, from this page: https://drive.google.com/drive/folders/1Yr8MaWTznXatnySgg3-yYgOlsJ_w7XDV or if google is blocked in your country, from here: https://mega.nz/#F!cihGgKYY!HouKijnK55zxLVpEr4W9vQ



Lorenzo Paulatto, Francesco Mauri, and Michele Lazzeri. Phys. Rev. B 87, 214303 – Published 7 June 2013

Giorgia Fugallo, Michele Lazzeri, Lorenzo Paulatto, and Francesco Mauri. Phys. Rev. B 88, 045430 – Published 17 July 2013

Lorenzo Paulatto, Ion Errea, Matteo Calandra, and Francesco Mauri. Phys. Rev. B 91, 054304 – Published 19 February 2015

Fugallo et.al. Nano Lett., 2014, 14 (11), pp 6109–6114

Check the full list of publications in the wiki

Features

  • derivative of total energy from three phonons from density functional perurbation theory
  • three-body force constants
  • phonon-phonon interaction from anharmonicity, isotopes and boundary scattering
  • phonon linewidth/lifetime and 3rd order lineshift
  • phonon spectral function
  • thermal conductivity in the single-mode approximation
  • thermal conductivity from iterative diagonalization of the linearized Boltzmann equation
  • final state decomposition of phonon decay
  • quasi harmonic approximation (since 1.1.5)


This is an application that can also be fetched from https://sourceforge.net/projects/d3q/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


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