[Pw_forum] Phonon under pressure

[Mostafa Youssef]

Dear Subhodip,

I'm no expert in high pressure physics and one needs to know the specifics of the system.

How much pressure are you applying ?  If too much the whole pseudopotential approach cannot be very helpful.  Are you able to get reasonable phonons at zero pressure ? Do you anticipate phase transitions as a function of pressure ?
By clarifying these questions, you may get help form someone well-versed in these topics.


Regards,
Mostafa
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