mp-557301-2/K2TiSi6O15/harm

Equation of state

../../_images/fig_bm4268.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8406.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11812.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8406.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28168.png

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

Summary

../../_images/fig_times14758.png

(a) Computation time