mp-558707-3/K2UAs2O9/harm

Equation of state

../../_images/fig_bm4147.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8076.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11360.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8076.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27838.png

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

Summary

../../_images/fig_times14236.png

(a) Computation time