mp-1102791/INO4/harm

Harmonic properties

../../_images/fig_bandos_pr16552.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20938.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16551.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216127.png

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

Summary

../../_images/fig_times27090.png

(a) Computation time