mp-570544-2/ZrSe2Cl12/harm

Equation of state

../../_images/fig_bm3648.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6820.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9785.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6820.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26605.png

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

Summary

../../_images/fig_times12241.png

(a) Computation time