mp-556962/Pr3CuGeS7/harm

Harmonic properties

../../_images/fig_bandos_pr8332.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11721.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8332.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28094.png

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

Summary

../../_images/fig_times14644.png

(a) Computation time