mp-20694/K2Pb2O3/harm

Harmonic properties

../../_images/fig_bandos_pr13492.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17854.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13492.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213127.png

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

Summary

../../_images/fig_times22704.png

(a) Computation time