mp-560690/Sm2Mo3O12/harm

Harmonic properties

../../_images/fig_bandos_pr7553.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10620.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7553.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27317.png

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

Summary

../../_images/fig_times13368.png

(a) Computation time