mp-11012-3/SrB2S4/harm

Harmonic properties

../../_images/fig_bandos_pr16745.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21094.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16744.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216303.png

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

Summary

../../_images/fig_times27362.png

(a) Computation time