mp-7664/Na6ZnO4/anharm

Space group: P6_3mc (186)
Link: Materials Project
Download: mp-7664.tar.gz

Harmonic properties

../../_images/fig_bandos_pr4623.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6443.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo4623.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all2001.png — (a) Grüneisen parameters

../../_images/fig_gruneisen2001.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc24435.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times8214.png — (a) Computation time