mp-557803-2/MgSiO3/anharm

Space group: Pna2_1 (33)
Link: Materials Project
Download: mp-557803-2.tar.gz

Equation of state

../../_images/fig_bm4190.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8186.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11513.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo8186.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc27948.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times14408.png — (a) Computation time