mp-557301/K2TiSi6O15/harm

Harmonic properties

../../_images/fig_bandos_pr8405.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11811.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8405.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28167.png

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

Summary

../../_images/fig_times14757.png

(a) Computation time