mp-752724/Ho2TiO5/harm

Harmonic properties

../../_images/fig_bandos_pr3944.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5247.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3944.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23757.png

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

Summary

../../_images/fig_times6832.png

(a) Computation time