[Pw_forum] phonon instability

[bhabya sahoo]

sir
i am calculating the phase transition of some carbides
the transition from B1 to B2 transition occures at 130 gpa by enthalpy
compparison
but i am able to find phonon instability at 130 gpa for B1 structure
but at the same time i am not able to find the dyanamic stability of B2
phase
but it occures high pressure (more than130 gpa )
is there any explanation for this ?

is there any relation of thermodyanamical unstability
and dyanamical unstability simultaneously?


answers are highly appriceted with some reson








Bd sahoo
reserch scholar
barc mumbai
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