mp-18105-2/CsAgSe4/harm

Equation of state

../../_images/fig_bm6882.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13776.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18157.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13776.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213404.png

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

Summary

../../_images/fig_times23100.png

(a) Computation time