mp-14873-2/K4Nb8SiP4O34/harm

Equation of state

../../_images/fig_bm7274.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14544.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18898.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14544.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214163.png

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

Summary

../../_images/fig_times24205.png

(a) Computation time