mp-728030/K2Cr2AsHO10/harm

Equation of state

../../_images/fig_bm2122.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4216.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5819.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4216.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24029.png

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

Summary

../../_images/fig_times7450.png

(a) Computation time