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!HouKijnK55zxLVpEr4W9vQLorenzo 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.
