mp-17243-2/Pr3CuSnSe7/harm

Equation of state

../../_images/fig_bm7125.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14223.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18622.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14223.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213851.png

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

Summary

../../_images/fig_times23774.png

(a) Computation time