mp-8516-2/CdSO3/harm

Equation of state

../../_images/fig_bm739.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1836.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1861.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1836.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21659.png

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

Summary

../../_images/fig_times2813.png

(a) Computation time