mp-559289/YTaO4/harm

Harmonic properties

../../_images/fig_bandos_pr7899.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11088.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7899.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27661.png

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

Summary

../../_images/fig_times13917.png

(a) Computation time