[Pw_forum] Confusion on Quasi-Harmonic Approximation calculation

[Sitangshu Bhattacharya]

Dear Sir,

While doing an analysis of QHA, the mode dependent Gr\..uneisen parameter
are obtained by altering the volume.
Since there is not much tutorial on this, I am confused that whether this
is an isothermal mode Gr\..uneisen parameter or isobaric mode Gr\..uneisen
parameter or temperature dependent  Gr\..uneisen parameter  at a fixed
volume.
Can you please guide me on this.
I also saw an average Gr\..uneisen parameter as function of temperature.
What is the difference between these two.

Thanks and regards,

**********************************************
Sitangshu Bhattacharya, Ph.D
Assistant Professor,
Room No. 2221, CC-1,
Nanoscale Electro-Thermal Laboratory,
Department of Electrical and Communication Engineering,
Indian Institute of Information Technology-Allahabad
Uttar Pradesh 211 012
India
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