mp-13774-2/NaNdSiO4/harm

Equation of state

../../_images/fig_bm7498.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14953.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19320.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14952.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214570.png

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

Summary

../../_images/fig_times24783.png

(a) Computation time