mp-6182-2/CsTb2Cu3Se5/harm

Equation of state

../../_images/fig_bm3329.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6302.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9162.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6302.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26092.png

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

Summary

../../_images/fig_times11418.png

(a) Computation time