[Thermo_pw-forum] Grüneisen parameter along different crystallographic direction

[Andrea Dal Corso]

This is not implemented. I do not even know what it is.
Please provide a reference for the anisotropic average Gruneisen  
parameter. I have never seen its definition.

Andrea


Quoting Niharendu Barman <nihar.barman at gmail.com>:

> Sir,
>
> I have seen that Thermo_pw can calculate the mode Grüneisen parameter and
> average Grüneisen parameter as a function of temperature. But is it
> possible to calculate the average Grüneisen parameter as a function of
> temperature along different crystallographic axes? If possible what change
> should i do in my input thermo_control. Secondly can I choose ngeo number
> to just 3 to calculate Grüneisen parameter?
>
> Best regards
>
> Niharendu Barman
> Assistant Professor'
> Department of Physics
> Dinhata College