mp-568819-2/Bi20Pt3Br36/harm

Equation of state

../../_images/fig_bm3722.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6960.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9947.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6960.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26738.png

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

Summary

../../_images/fig_times12464.png

(a) Computation time