mp-1191340/CaB2H8/harm

Harmonic properties

../../_images/fig_bandos_pr16068.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20488.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16067.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215663.png

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

Summary

../../_images/fig_times26434.png

(a) Computation time