mp-567431-2/ThCl4/harm

Equation of state

../../_images/fig_bm3801.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7165.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10153.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7165.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26936.png

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

Summary

../../_images/fig_times12765.png

(a) Computation time