mp-6755/KSn4P3O12/harm

Harmonic properties

../../_images/fig_bandos_pr6145.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9013.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6145.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25936.png

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

Summary

../../_images/fig_times11211.png

(a) Computation time