mp-17059-2/K3Nb3Si2O13/harm

Equation of state

../../_images/fig_bm7099.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14176.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18570.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14176.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213804.png

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

Summary

../../_images/fig_times23695.png

(a) Computation time