mp-560239/K3Ti3P5O20/harm

Harmonic properties

../../_images/fig_bandos_pr7784.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10930.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7784.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27547.png

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

Summary

../../_images/fig_times13737.png

(a) Computation time