mp-559336-2/NaNb3Te4O16/harm

Equation of state

../../_images/fig_bm4071.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7906.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11103.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7906.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27668.png

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

Summary

../../_images/fig_times13935.png

(a) Computation time