mp-6810-2/K2TiSi3O9/harm

Harmonic properties

../../_images/fig_bandos_pr6178.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9052.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6178.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25969.png

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

Summary

../../_images/fig_times11256.png

(a) Computation time