mp-14482/SrNb6O16/harm

Harmonic properties

../../_images/fig_bandos_pr14815.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19185.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14815.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214433.png

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

Summary

../../_images/fig_times24592.png

(a) Computation time