mp-570598-2/SrSi7N10/harm

Equation of state

../../_images/fig_bm3657.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6841.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9803.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6841.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26625.png

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

Summary

../../_images/fig_times12266.png

(a) Computation time