mp-672262/La3Zn3Ge2SbO14/harm

Equation of state

../../_images/fig_bm2626.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5386.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7765.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5386.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25191.png

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

Summary

../../_images/fig_times9754.png

(a) Computation time