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We presently conclude that the present study supplemented by
previousobservations reveals that though the anharmonicity in CaF2
is very strong, high-T thermodynamic properties can be accurately
obtained only by considering the volume dependence of the phonon
frequencies. Sent Although, X-point softening in opticalmode is
clearly obtained in the present case study via only thermal
expansion effect, anharmonicity due to phonon decay process
expected at -point of BZ still remainsthe subject of interest, so
as the high-P melting curve and P-T phase diagram. Simpleapproach
within the TB-SMA, which was originally designed for elemental
metals, iscapable to mimic the principal Hugoniot for such strongly
ionic materials."
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