mp-721657/SnC2Cl2/harm

Equation of state

../../_images/fig_bm2059.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4147.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5635.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4147.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23960.png

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

Summary

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(a) Computation time