mp-559459-2/CsInS2/harm

Equation of state

../../_images/fig_bm4082.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7930.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11139.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7930.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27692.png

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

Summary

../../_images/fig_times13978.png

(a) Computation time