mp-17357-2/NaSmSiO4/harm

Equation of state

../../_images/fig_bm7142.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14259.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18657.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14259.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213887.png

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

Summary

../../_images/fig_times23819.png

(a) Computation time