mp-9737/Ba4Sm4Zn3PtO15/harm

Harmonic properties

../../_images/fig_bandos_pr1214.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1121.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1214.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21080.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times1816.png

(a) Computation time