mp-558688-2/Ba2Sc2B4O11/harm

Equation of state

../../_images/fig_bm4144.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8073.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11354.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8073.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27835.png

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

Summary

../../_images/fig_times14230.png

(a) Computation time