mp-559210/Ca5Te3O14/harm

Harmonic properties

../../_images/fig_bandos_pr7882.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11062.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7882.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27644.png

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

Summary

../../_images/fig_times13888.png

(a) Computation time