mp-15108/RbSnAsO5/harm

Harmonic properties

../../_images/fig_bandos_pr14593.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18972.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14593.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214212.png

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

Summary

../../_images/fig_times24290.png

(a) Computation time