mp-14873/K4Nb8SiP4O34/harm

Harmonic properties

../../_images/fig_bandos_pr14543.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18897.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14543.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214162.png

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

Summary

../../_images/fig_times24204.png

(a) Computation time