mp-28529/KInBr3/anharm

Space group: P-3 (147)
Link: Materials Project
Download: mp-28529.tar.gz

Harmonic properties

../../_images/fig_bandos_pr11518.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15525.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo11518.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all4774.png — (a) Grüneisen parameters

../../_images/fig_gruneisen4774.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc211233.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times19625.png — (a) Computation time