mp-6019-3/Sr2YNbO6/harm

Equation of state

../../_images/fig_bm3515.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6588.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9485.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6588.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26378.png

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

Summary

../../_images/fig_times11838.png

(a) Computation time