mp-17357/NaSmSiO4/harm

Harmonic properties

../../_images/fig_bandos_pr14258.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18656.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14258.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213886.png

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

Summary

../../_images/fig_times23818.png

(a) Computation time