mp-686572/NaPr9Si6S2O24/harm

Harmonic properties

../../_images/fig_bandos_pr5030.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7073.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5030.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24835.png

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

Summary

../../_images/fig_times8966.png

(a) Computation time