mp-676074/Na2ThF6/harm

Equation of state

../../_images/fig_bm2583.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5285.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7551.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5285.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25090.png

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

Summary

../../_images/fig_times9514.png

(a) Computation time