1 code implementation • 22 May 2018 • Fei Zhou, Weston Nielson, Yi Xia, Vidvuds Ozolins
{\it Ab initio\/} calculations have been successfully used for evaluating lattice dynamical properties of solids within the (quasi-)harmonic approximation (i. e., assuming non-interacting phonons with infinite lifetimes), but it remains difficult to treat anharmonicity in all but the simplest compounds.
Computational Physics Materials Science
