mp-1227044/CaYAlO4/harm

Harmonic properties

../../_images/fig_bandos_pr15102.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19474.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15101.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214718.png

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

Summary

../../_images/fig_times24997.png

(a) Computation time