mp-1043568/TaPO5/harm

Harmonic properties

../../_images/fig_bandos_pr17250.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21746.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17249.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216791.png

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

Summary

../../_images/fig_times28223.png

(a) Computation time