mp-559043-2/KLaGeS4/harm

Equation of state

../../_images/fig_bm4048.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7843.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11005.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7843.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27606.png

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

Summary

../../_images/fig_times13825.png

(a) Computation time