mp-561518-2/Mg2BiAsO6/harm

Equation of state

../../_images/fig_bm3904.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7413.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7413.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27177.png

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

Summary

../../_images/fig_times13138.png

(a) Computation time