mp-11012/SrB2S4/harm

Harmonic properties

../../_images/fig_bandos_pr16743.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16742.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216301.png

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

Summary

../../_images/fig_times27360.png

(a) Computation time